#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pnf s GLU 2 N 0.00 1.48 -0.23 2.12 -1.05 -1.26 -5.11 118.70 114.65 2pnf s GLU 2 Ca 0.00 -1.69 -0.04 0.00 -0.15 0.00 0.00 54.97 53.09 2pnf s GLU 2 Cb 0.00 -1.30 -0.00 0.00 -0.44 0.00 0.00 34.13 32.38 2pnf s GLU 2 CO 0.00 0.18 -0.03 0.42 0.95 0.00 0.00 175.26 176.78 2pnf s ILE 3 N -2.86 3.40 -0.02 1.83 1.01 -1.26 -5.03 121.20 118.27 2pnf s ILE 3 Ca 0.26 -0.56 0.04 0.00 0.00 0.00 0.00 60.65 60.39 2pnf s ILE 3 Cb -0.01 -2.59 -0.01 0.00 0.01 0.00 0.00 42.46 39.87 2pnf s ILE 3 CO 0.10 0.36 -0.14 -1.59 0.00 0.00 0.00 174.94 173.68 2pnf s LYS 4 N 1.47 1.20 -0.10 2.79 -2.85 -1.26 -4.81 119.74 116.18 2pnf s LYS 4 Ca 0.05 -0.48 0.14 0.00 -1.00 0.00 0.00 55.97 54.68 2pnf s LYS 4 Cb -0.15 -1.13 0.21 0.00 -2.06 0.00 0.00 37.83 34.71 2pnf s LYS 4 CO -0.03 0.26 1.11 1.28 0.10 0.00 0.00 175.35 178.07 2pnf n LEU 5 N 2.89 2.18 -4.69 2.77 4.77 0.47 -5.00 117.00 120.39 2pnf n LEU 5 Ca -0.15 -2.76 -0.44 0.00 -0.03 0.00 0.00 56.01 52.63 2pnf n LEU 5 Cb 0.55 -0.32 -0.02 0.00 -2.33 0.00 0.00 43.42 41.30 2pnf n LEU 5 CO 0.25 0.64 1.05 0.00 -1.33 0.00 0.00 177.39 178.00 2pnf n GLN 6 N -1.17 2.21 0.00 3.23 6.02 -1.23 -1.24 117.38 125.19 2pnf n GLN 6 Ca 0.12 0.78 0.00 0.00 -0.01 0.00 0.00 57.00 57.89 2pnf n GLN 6 Cb 0.55 -2.46 0.00 0.00 1.02 0.00 0.00 30.24 29.35 2pnf n GLN 6 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2pnf n GLY 7 N 1.90 2.82 3.93 1.08 0.00 -1.26 -4.99 105.19 108.67 2pnf n GLY 7 Ca 0.10 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.86 2pnf n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2pnf s LYS 8 N -0.87 3.54 -0.11 1.61 -0.14 -0.37 -4.98 119.74 118.41 2pnf s LYS 8 Ca 0.00 -0.23 0.03 0.00 -1.36 0.00 0.00 55.97 54.41 2pnf s LYS 8 Cb 0.00 -2.69 0.01 0.00 -1.68 0.00 0.00 37.83 33.46 2pnf s LYS 8 CO 0.00 0.22 -0.21 0.08 -0.76 0.00 0.00 175.35 174.68 2pnf s VAL 9 N -2.15 1.90 -0.08 3.17 1.01 -1.26 -1.37 120.40 121.62 2pnf s VAL 9 Ca 0.41 -0.90 0.04 0.00 0.00 0.00 0.00 61.98 61.52 2pnf s VAL 9 Cb -0.10 -1.68 -0.01 0.00 0.00 0.00 0.00 36.38 34.59 2pnf s VAL 9 CO 0.33 0.52 -0.19 -0.44 0.00 0.00 0.00 175.10 175.32 2pnf s SER 10 N 0.65 3.53 -0.18 3.32 0.01 0.04 -1.42 113.70 119.65 2pnf s SER 10 Ca -0.12 -0.41 -0.04 0.00 1.31 0.00 0.00 55.95 56.69 2pnf s SER 10 Cb -0.16 -1.15 -0.02 0.00 0.21 0.00 0.00 66.02 64.90 2pnf s SER 10 CO 0.03 0.23 -0.03 -0.22 0.41 0.00 0.00 173.24 173.66 2pnf s LEU 11 N -0.05 3.19 -0.21 2.44 2.96 0.13 -0.36 118.68 126.78 2pnf s LEU 11 Ca -0.05 -0.20 0.01 0.00 -0.22 0.00 0.00 54.13 53.67 2pnf s LEU 11 Cb -0.14 -1.79 0.04 0.00 0.50 0.00 0.00 46.19 44.80 2pnf s LEU 11 CO 0.04 0.10 -0.13 -0.69 -1.32 0.00 0.00 176.35 174.36 2pnf s VAL 12 N 0.75 1.83 0.37 1.68 1.01 -0.71 -0.79 120.40 124.54 2pnf s VAL 12 Ca -0.01 -1.11 -0.23 0.00 0.00 0.00 0.00 61.98 60.63 2pnf s VAL 12 Cb -0.14 -1.85 -0.10 0.00 0.00 0.00 0.00 36.38 34.28 2pnf s VAL 12 CO 0.02 0.21 0.92 0.42 0.00 0.00 0.00 175.10 176.68 2pnf s THR 13 N 1.32 4.34 -1.15 3.92 -4.23 -0.88 -3.41 115.64 115.55 2pnf s THR 13 Ca -0.01 1.59 -0.01 0.00 -1.18 0.00 0.00 61.69 62.07 2pnf s THR 13 Cb -0.16 -3.79 0.00 0.00 1.34 0.00 0.00 72.50 69.89 2pnf s THR 13 CO -0.09 -0.08 0.97 0.61 -0.54 0.00 0.00 174.62 175.49 2pnf n GLY 14 N -0.03 -0.33 1.18 3.99 0.00 -1.16 -2.53 105.19 106.29 2pnf n GLY 14 Ca 0.04 0.09 -0.01 0.00 0.00 0.00 0.00 46.02 46.14 2pnf n GLY 14 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2pnf n SER 15 N -2.98 3.23 -0.07 1.61 3.41 -0.67 -4.13 113.62 114.03 2pnf n SER 15 Ca -0.24 -3.44 0.13 0.00 -0.26 0.00 0.00 58.87 55.06 2pnf n SER 15 Cb 0.65 -0.62 0.44 0.00 -0.26 0.00 0.00 64.21 64.42 2pnf n SER 15 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 2pnf n THR 16 N -0.84 0.00 -3.80 6.66 -2.24 -1.25 -3.51 114.28 109.30 2pnf n THR 16 Ca 0.31 -0.04 -0.03 0.00 -2.27 0.00 0.00 64.05 62.02 2pnf n THR 16 Cb 1.05 0.03 -0.00 0.00 -2.10 0.00 0.00 70.33 69.30 2pnf n THR 16 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2pnf s ARG 17 N -2.78 1.27 5.10 -0.78 1.70 -1.26 -4.89 118.95 117.30 2pnf s ARG 17 Ca 0.18 -0.75 0.00 0.00 -0.47 0.00 0.00 55.73 54.69 2pnf s ARG 17 Cb 0.19 0.40 0.00 0.00 -0.57 0.00 0.00 34.95 34.96 2pnf s ARG 17 CO 0.58 -0.59 0.00 0.41 -1.08 0.00 0.00 175.30 174.62 2pnf n GLY 18 N -0.55 2.57 0.28 3.88 0.00 -1.26 -2.17 105.19 107.94 2pnf n GLY 18 Ca -0.05 -0.39 -0.06 0.00 0.00 0.00 0.00 46.02 45.52 2pnf n GLY 18 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2pnf h ILE 19 N 0.00 1.21 -0.79 -0.61 2.04 -1.92 -1.40 117.51 116.04 2pnf h ILE 19 Ca 0.00 -0.53 0.01 0.00 1.00 0.00 0.00 64.86 65.35 2pnf h ILE 19 Cb 0.00 0.31 -0.04 0.00 -0.74 0.00 0.00 36.82 36.35 2pnf h ILE 19 CO 0.00 0.23 0.52 1.23 0.00 0.00 0.00 178.15 180.13 2pnf h GLY 20 N 0.94 1.12 1.23 5.37 0.00 -1.70 0.79 103.07 110.82 2pnf h GLY 20 Ca 0.24 -0.41 -0.11 0.00 0.00 0.00 0.00 47.33 47.05 2pnf h GLY 20 CO -0.04 0.39 -0.16 -0.09 0.00 0.00 0.00 176.54 176.64 2pnf h ARG 21 N 1.05 0.90 -0.75 4.80 2.43 -1.01 -1.64 114.38 120.17 2pnf h ARG 21 Ca 0.30 -0.34 -0.03 0.00 -0.81 0.00 0.00 59.98 59.09 2pnf h ARG 21 Cb -0.09 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 29.37 2pnf h ARG 21 CO -0.07 0.99 0.33 0.00 -1.51 0.00 0.00 179.97 179.71 2pnf h ALA 22 N 1.02 1.17 -0.24 2.80 0.00 -0.52 -0.31 119.26 123.19 2pnf h ALA 22 Ca 0.12 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 2pnf h ALA 22 Cb 0.70 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 2pnf h ALA 22 CO 0.05 0.62 0.08 0.82 0.00 0.00 0.00 179.25 180.82 2pnf h ILE 23 N 1.08 1.18 -0.71 0.00 2.04 -0.62 0.53 117.51 121.01 2pnf h ILE 23 Ca 0.26 -0.57 -0.05 0.00 1.00 0.00 0.00 64.86 65.50 2pnf h ILE 23 Cb 0.15 1.11 -0.03 0.00 -0.74 0.00 0.00 36.82 37.31 2pnf h ILE 23 CO -0.03 0.19 0.26 0.00 0.00 0.00 0.00 178.15 178.57 2pnf h ALA 24 N 0.92 1.11 -0.44 1.87 0.00 -0.95 -0.78 119.26 120.99 2pnf h ALA 24 Ca 0.08 -0.20 -0.10 0.00 0.00 0.00 0.00 54.91 54.70 2pnf h ALA 24 Cb 0.21 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 2pnf h ALA 24 CO -0.00 0.62 -0.12 0.93 0.00 0.00 0.00 179.25 180.68 2pnf h GLU 25 N 1.04 0.80 -0.39 0.00 5.08 -0.88 -0.71 114.58 119.51 2pnf h GLU 25 Ca 0.24 -0.27 -0.05 0.00 -1.00 0.00 0.00 59.36 58.27 2pnf h GLU 25 Cb 0.24 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 2pnf h GLU 25 CO -0.02 0.88 0.03 -0.22 -1.00 0.00 0.00 179.01 178.69 2pnf h LYS 26 N 0.72 0.67 -0.71 2.33 1.63 -0.42 0.68 116.57 121.48 2pnf h LYS 26 Ca 0.12 -0.20 -0.07 0.00 -0.85 0.00 0.00 60.65 59.66 2pnf h LYS 26 Cb 0.61 -0.07 -0.03 0.00 -0.60 0.00 0.00 32.23 32.14 2pnf h LYS 26 CO 0.04 0.74 0.18 -0.07 -3.45 0.00 0.00 179.45 176.90 2pnf h LEU 27 N 0.51 1.06 -0.82 5.20 3.38 -0.99 -2.41 115.31 121.24 2pnf h LEU 27 Ca 0.12 -0.22 -0.03 0.00 0.09 0.00 0.00 57.88 57.84 2pnf h LEU 27 Cb 0.42 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.85 2pnf h LEU 27 CO 0.01 1.01 0.39 0.00 0.09 0.00 0.00 178.44 179.94 2pnf h ALA 28 N 1.12 1.05 0.00 1.53 0.00 -0.92 -1.64 119.26 120.40 2pnf h ALA 28 Ca 0.22 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 2pnf h ALA 28 Cb 0.36 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 2pnf h ALA 28 CO 0.00 0.62 -0.06 0.66 0.00 0.00 0.00 179.25 180.47 2pnf h SER 29 N 1.16 0.00 -0.03 0.00 4.64 -0.38 0.70 113.55 119.65 2pnf h SER 29 Ca 0.28 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.60 2pnf h SER 29 Cb 0.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.22 2pnf h SER 29 CO -0.03 0.06 0.00 0.00 -0.87 0.00 0.00 176.83 175.99 2pnf n ALA 30 N -2.31 2.57 0.00 5.18 0.00 -0.75 -4.93 120.51 120.28 2pnf n ALA 30 Ca -0.02 -0.45 0.00 0.00 0.00 0.00 0.00 53.44 52.96 2pnf n ALA 30 Cb 0.16 -1.16 0.00 0.00 0.00 0.00 0.00 19.45 18.45 2pnf n ALA 30 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2pnf n GLY 31 N 1.17 0.61 3.77 0.00 0.00 0.24 -0.40 105.19 110.59 2pnf n GLY 31 Ca 0.19 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.83 2pnf n GLY 31 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2pnf s SER 32 N -2.03 6.70 0.30 1.61 0.15 -0.70 -3.58 113.70 116.15 2pnf s SER 32 Ca 0.00 2.21 -0.29 0.00 0.70 0.00 0.00 55.95 58.57 2pnf s SER 32 Cb 0.00 -2.60 -0.10 0.00 -1.71 0.00 0.00 66.02 61.61 2pnf s SER 32 CO 0.00 -0.54 1.16 -0.89 1.20 0.00 0.00 173.24 174.17 2pnf s THR 33 N -1.48 3.26 0.02 6.45 2.01 -0.47 -4.28 115.64 121.15 2pnf s THR 33 Ca 0.56 1.27 0.05 0.00 0.31 0.00 0.00 61.69 63.88 2pnf s THR 33 Cb -0.27 -3.81 -0.02 0.00 0.01 0.00 0.00 72.50 68.41 2pnf s THR 33 CO 0.34 0.30 -0.15 0.68 -0.69 0.00 0.00 174.62 175.10 2pnf s VAL 34 N -1.16 1.20 -0.20 3.82 -7.23 -0.77 -0.78 120.40 115.29 2pnf s VAL 34 Ca 0.46 -0.87 -0.02 0.00 -1.81 0.00 0.00 61.98 59.73 2pnf s VAL 34 Cb -0.34 -1.05 -0.00 0.00 0.56 0.00 0.00 36.38 35.54 2pnf s VAL 34 CO 0.45 0.17 -0.08 -0.63 -0.31 0.00 0.00 175.10 174.69 2pnf s ILE 35 N -0.63 3.10 -0.14 -0.62 1.01 0.51 -1.42 121.20 123.01 2pnf s ILE 35 Ca 0.04 -0.60 -0.09 0.00 0.00 0.00 0.00 60.65 60.00 2pnf s ILE 35 Cb -0.07 -2.38 -0.04 0.00 0.01 0.00 0.00 42.46 39.98 2pnf s ILE 35 CO 0.01 0.46 0.17 -0.63 0.00 0.00 0.00 174.94 174.95 2pnf s ILE 36 N 1.25 5.42 0.10 2.92 -1.09 0.56 -1.74 121.20 128.62 2pnf s ILE 36 Ca 0.03 0.29 0.06 0.00 -2.23 0.00 0.00 60.65 58.79 2pnf s ILE 36 Cb -0.14 -3.47 -0.03 0.00 -1.58 0.00 0.00 42.46 37.24 2pnf s ILE 36 CO -0.03 0.54 -0.15 0.42 -1.23 0.00 0.00 174.94 174.49 2pnf s THR 37 N -0.49 1.31 0.19 2.92 -4.23 -1.22 -1.04 115.64 113.08 2pnf s THR 37 Ca 0.14 -1.56 -0.23 0.00 -1.18 0.00 0.00 61.69 58.86 2pnf s THR 37 Cb -0.12 -1.38 0.05 0.00 1.34 0.00 0.00 72.50 72.39 2pnf s THR 37 CO 0.03 -0.30 0.74 -0.83 -0.54 0.00 0.00 174.62 173.72 2pnf s GLY 38 N -2.14 -0.33 0.17 3.99 0.00 -1.13 -1.66 107.32 106.22 2pnf s GLY 38 Ca 0.05 0.18 0.20 0.00 0.00 0.00 0.00 44.72 45.15 2pnf s GLY 38 CO 0.03 0.06 1.63 -1.30 0.00 0.00 0.00 173.10 173.51 2pnf n THR 39 N -0.41 0.89 -3.94 0.90 -2.24 -1.25 -0.39 114.28 107.84 2pnf n THR 39 Ca -0.09 0.24 -0.34 0.00 -2.27 0.00 0.00 64.05 61.59 2pnf n THR 39 Cb 0.62 -1.12 -0.14 0.00 -2.10 0.00 0.00 70.33 67.59 2pnf n THR 39 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 2pnf s SER 40 N -3.83 4.75 0.43 3.42 0.15 -1.26 -4.71 113.70 112.65 2pnf s SER 40 Ca 0.05 -1.26 0.12 0.00 0.70 0.00 0.00 55.95 55.56 2pnf s SER 40 Cb 0.09 -1.68 0.98 0.00 -1.71 0.00 0.00 66.02 63.71 2pnf s SER 40 CO 0.35 -0.23 2.02 1.23 1.20 0.00 0.00 173.24 177.80 2pnf h GLY 41 N 7.96 0.54 0.90 9.45 0.00 -1.85 -1.22 103.07 118.84 2pnf h GLY 41 Ca -0.22 -0.18 -0.05 0.00 0.00 0.00 0.00 47.33 46.88 2pnf h GLY 41 CO 0.52 0.14 -0.00 0.83 0.00 0.00 0.00 176.54 178.02 2pnf h GLU 42 N 0.44 0.56 -0.35 4.80 5.08 -1.95 -1.07 114.58 122.09 2pnf h GLU 42 Ca 0.22 -0.18 -0.10 0.00 -1.00 0.00 0.00 59.36 58.29 2pnf h GLU 42 Cb 0.29 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.48 2pnf h GLU 42 CO -0.06 0.70 -0.21 -0.09 -1.00 0.00 0.00 179.01 178.36 2pnf h ARG 43 N 0.36 0.67 -0.41 2.33 2.43 -1.85 -1.31 114.38 116.60 2pnf h ARG 43 Ca 0.09 -0.25 -0.03 0.00 -0.81 0.00 0.00 59.98 58.98 2pnf h ARG 43 Cb 0.45 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.94 2pnf h ARG 43 CO 0.02 0.82 0.16 0.00 -1.51 0.00 0.00 179.97 179.46 2pnf h ALA 44 N 1.18 0.53 -0.24 2.80 0.00 -1.11 0.03 119.26 122.47 2pnf h ALA 44 Ca 0.09 -0.15 -0.10 0.00 0.00 0.00 0.00 54.91 54.75 2pnf h ALA 44 Cb 0.67 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 2pnf h ALA 44 CO 0.05 0.15 -0.27 0.87 0.00 0.00 0.00 179.25 180.05 2pnf h LYS 45 N 0.52 0.46 -0.42 0.00 1.57 -1.08 -1.02 116.57 116.60 2pnf h LYS 45 Ca 0.14 -0.18 -0.06 0.00 -1.87 0.00 0.00 60.65 58.68 2pnf h LYS 45 Cb 0.21 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.48 2pnf h LYS 45 CO -0.01 0.70 0.03 0.00 -0.57 0.00 0.00 179.45 179.60 2pnf h ALA 46 N 1.31 0.56 -0.49 3.86 0.00 -0.83 -0.48 119.26 123.18 2pnf h ALA 46 Ca 0.06 -0.24 -0.12 0.00 0.00 0.00 0.00 54.91 54.60 2pnf h ALA 46 Cb 0.69 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 2pnf h ALA 46 CO 0.05 0.32 -0.17 0.28 0.00 0.00 0.00 179.25 179.73 2pnf h VAL 47 N 0.56 1.27 -0.95 0.00 2.07 -0.85 -1.44 116.25 116.92 2pnf h VAL 47 Ca 0.12 -1.33 -0.00 0.00 0.82 0.00 0.00 66.70 66.31 2pnf h VAL 47 Cb 0.43 1.09 -0.05 0.00 -1.52 0.00 0.00 31.29 31.25 2pnf h VAL 47 CO 0.02 0.46 0.59 0.00 0.02 0.00 0.00 177.57 178.66 2pnf h ALA 48 N 0.88 1.21 -0.62 1.67 0.00 -1.04 -0.37 119.26 120.99 2pnf h ALA 48 Ca 0.12 -0.09 -0.06 0.00 0.00 0.00 0.00 54.91 54.87 2pnf h ALA 48 Cb 0.74 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 2pnf h ALA 48 CO 0.06 0.64 0.14 1.49 0.00 0.00 0.00 179.25 181.58 2pnf h GLU 49 N 1.30 1.00 -0.28 0.00 4.81 -0.68 -0.38 114.58 120.35 2pnf h GLU 49 Ca 0.34 -0.25 -0.02 0.00 -0.13 0.00 0.00 59.36 59.31 2pnf h GLU 49 Cb -0.09 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.15 2pnf h GLU 49 CO -0.07 0.91 0.09 0.93 -0.73 0.00 0.00 179.01 180.15 2pnf h GLU 50 N 0.91 0.42 -0.71 1.92 5.08 -0.71 -1.46 114.58 120.04 2pnf h GLU 50 Ca 0.19 -0.09 -0.01 0.00 -1.00 0.00 0.00 59.36 58.45 2pnf h GLU 50 Cb 0.37 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.53 2pnf h GLU 50 CO 0.00 0.48 0.39 0.82 -1.00 0.00 0.00 179.01 179.71 2pnf h ILE 51 N 0.29 1.22 -0.58 3.13 2.04 -0.84 -0.48 117.51 122.28 2pnf h ILE 51 Ca 0.09 -0.54 -0.04 0.00 1.00 0.00 0.00 64.86 65.37 2pnf h ILE 51 Cb 0.23 0.28 -0.03 0.00 -0.74 0.00 0.00 36.82 36.56 2pnf h ILE 51 CO -0.00 0.24 0.21 0.00 0.00 0.00 0.00 178.15 178.60 2pnf h ALA 52 N 1.20 1.29 -0.28 1.87 0.00 -0.91 -0.65 119.26 121.78 2pnf h ALA 52 Ca 0.25 -0.16 -0.17 0.00 0.00 0.00 0.00 54.91 54.82 2pnf h ALA 52 Cb 0.03 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.59 2pnf h ALA 52 CO -0.04 0.52 -0.51 -0.91 0.00 0.00 0.00 179.25 178.31 2pnf h ASN 53 N 0.83 0.88 -0.31 0.00 2.35 -0.80 0.37 115.58 118.90 2pnf h ASN 53 Ca 0.20 -0.45 -0.18 0.00 -0.55 0.00 0.00 56.30 55.32 2pnf h ASN 53 Cb 0.19 -0.25 -0.00 0.00 0.05 0.00 0.00 38.32 38.31 2pnf h ASN 53 CO -0.02 1.23 -0.49 0.50 -1.65 0.00 0.00 177.43 177.00 2pnf h LYS 54 N 0.62 0.87 -0.00 0.81 3.64 -0.74 -3.35 116.57 118.42 2pnf h LYS 54 Ca 0.02 -0.53 0.00 0.00 -1.27 0.00 0.00 60.65 58.87 2pnf h LYS 54 Cb 1.10 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.97 2pnf h LYS 54 CO 0.11 1.17 -0.45 0.66 -2.27 0.00 0.00 179.45 178.67 2pnf n TYR 55 N -4.05 0.00 -1.05 1.91 4.01 -0.28 -5.01 117.16 112.69 2pnf n TYR 55 Ca -0.04 0.00 -0.02 0.00 -0.16 0.00 0.00 57.90 57.68 2pnf n TYR 55 Cb 0.60 0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.62 2pnf n TYR 55 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2pnf n GLY 56 N 1.22 0.53 3.95 2.72 0.00 0.13 -4.99 105.19 108.75 2pnf n GLY 56 Ca 0.02 -0.46 -0.23 0.00 0.00 0.00 0.00 46.02 45.35 2pnf n GLY 56 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2pnf s VAL 57 N -1.98 4.48 -0.03 1.61 -7.23 -1.23 -5.02 120.40 111.00 2pnf s VAL 57 Ca 0.00 -0.53 -0.30 0.00 -1.81 0.00 0.00 61.98 59.34 2pnf s VAL 57 Cb 0.00 -3.64 -0.04 0.00 0.56 0.00 0.00 36.38 33.26 2pnf s VAL 57 CO 0.00 -0.42 1.30 -0.75 -0.31 0.00 0.00 175.10 174.92 2pnf s LYS 58 N -4.42 4.32 0.01 4.82 2.20 -1.26 -4.40 119.74 121.01 2pnf s LYS 58 Ca 0.44 1.82 0.00 0.00 -0.36 0.00 0.00 55.97 57.87 2pnf s LYS 58 Cb -0.10 -3.57 -0.01 0.00 -1.51 0.00 0.00 37.83 32.65 2pnf s LYS 58 CO 0.36 -0.51 -0.02 0.00 -0.36 0.00 0.00 175.35 174.82 2pnf s ALA 59 N 2.31 0.12 0.01 3.13 0.00 -1.26 -1.85 121.76 124.22 2pnf s ALA 59 Ca 0.60 -0.34 0.01 0.00 0.00 0.00 0.00 51.96 52.23 2pnf s ALA 59 Cb -0.28 0.07 -0.01 0.00 0.00 0.00 0.00 23.12 22.90 2pnf s ALA 59 CO 0.24 -0.07 -0.04 -1.01 0.00 0.00 0.00 175.76 174.88 2pnf s HIS 60 N -0.79 0.39 -0.05 0.00 3.76 -0.50 -4.83 115.29 113.27 2pnf s HIS 60 Ca -0.08 -0.20 0.06 0.00 -0.15 0.00 0.00 55.06 54.69 2pnf s HIS 60 Cb -0.05 -0.24 -0.02 0.00 1.11 0.00 0.00 32.58 33.37 2pnf s HIS 60 CO -0.00 -0.04 -0.22 0.20 -0.85 0.00 0.00 174.74 173.83 2pnf s GLY 61 N -0.54 1.37 0.04 -2.22 0.00 -1.26 -0.32 107.32 104.38 2pnf s GLY 61 Ca -0.03 -1.05 0.02 0.00 0.00 0.00 0.00 44.72 43.67 2pnf s GLY 61 CO -0.00 -0.75 -0.07 -1.34 0.00 0.00 0.00 173.10 170.94 2pnf s VAL 62 N -0.44 0.48 0.14 1.40 -7.23 -0.21 -4.49 120.40 110.04 2pnf s VAL 62 Ca 0.05 -1.03 -0.27 0.00 -1.81 0.00 0.00 61.98 58.92 2pnf s VAL 62 Cb -0.12 -0.55 -0.07 0.00 0.56 0.00 0.00 36.38 36.20 2pnf s VAL 62 CO 0.01 -0.38 0.83 -0.70 -0.31 0.00 0.00 175.10 174.56 2pnf s GLU 63 N -1.51 4.62 -0.23 4.82 2.12 -1.26 -2.85 118.70 124.41 2pnf s GLU 63 Ca -0.10 1.24 -0.04 0.00 0.36 0.00 0.00 54.97 56.43 2pnf s GLU 63 Cb -0.10 -3.31 0.12 0.00 0.26 0.00 0.00 34.13 31.10 2pnf s GLU 63 CO 0.00 0.43 0.40 1.41 -0.54 0.00 0.00 175.26 176.96 2pnf s MET 64 N -0.67 0.35 -0.33 4.30 1.75 0.48 -4.53 119.30 120.66 2pnf s MET 64 Ca 0.39 0.74 -0.09 0.00 -1.25 0.00 0.00 55.69 55.48 2pnf s MET 64 Cb -0.23 -0.14 0.01 0.00 2.84 0.00 0.00 34.83 37.31 2pnf s MET 64 CO 0.27 -0.50 0.15 1.21 -0.65 0.00 0.00 175.02 175.49 2pnf s ASN 65 N 2.59 5.48 0.00 1.11 3.84 -1.26 -3.84 114.94 122.85 2pnf s ASN 65 Ca 0.08 -0.73 0.18 0.00 0.21 0.00 0.00 52.86 52.60 2pnf s ASN 65 Cb -0.14 -1.97 1.03 0.00 -0.55 0.00 0.00 41.25 39.62 2pnf s ASN 65 CO -0.15 -0.25 1.50 0.18 -2.79 0.00 0.00 177.10 175.59 2pnf n LEU 66 N 4.95 0.00 0.17 3.21 4.32 -1.26 -1.29 117.00 127.10 2pnf n LEU 66 Ca -0.13 0.08 0.12 0.00 -0.02 0.00 0.00 56.01 56.06 2pnf n LEU 66 Cb 0.48 -0.08 0.20 0.00 -1.62 0.00 0.00 43.42 42.40 2pnf n LEU 66 CO 0.34 -0.03 0.70 -0.07 -1.22 0.00 0.00 177.39 177.10 2pnf h LEU 67 N 0.00 0.00 -8.34 2.23 3.38 -1.92 -3.39 115.31 107.27 2pnf h LEU 67 Ca 0.00 -0.01 -0.66 0.00 0.09 0.00 0.00 57.88 57.30 2pnf h LEU 67 Cb 0.05 0.00 -0.30 0.00 0.09 0.00 0.00 40.66 40.50 2pnf h LEU 67 CO 0.00 0.01 -0.77 -0.55 0.09 0.00 0.00 178.44 177.22 2pnf s SER 68 N -5.61 3.93 0.32 -0.43 0.15 -0.41 -4.97 113.70 106.68 2pnf s SER 68 Ca 0.07 -0.45 0.03 0.00 0.70 0.00 0.00 55.95 56.29 2pnf s SER 68 Cb 0.08 -1.65 0.55 0.00 -1.71 0.00 0.00 66.02 63.29 2pnf s SER 68 CO 0.67 0.01 1.86 1.05 1.20 0.00 0.00 173.24 178.04 2pnf h GLU 69 N 7.85 0.59 -0.46 5.44 4.11 -1.86 -1.99 114.58 128.26 2pnf h GLU 69 Ca -0.40 -0.13 -0.05 0.00 0.07 0.00 0.00 59.36 58.85 2pnf h GLU 69 Cb 1.16 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 30.31 2pnf h GLU 69 CO 0.60 0.60 0.10 1.49 0.07 0.00 0.00 179.01 181.88 2pnf h GLU 70 N 0.57 0.74 -0.68 1.06 4.81 -1.93 -1.79 114.58 117.36 2pnf h GLU 70 Ca 0.12 -0.18 0.01 0.00 -0.13 0.00 0.00 59.36 59.18 2pnf h GLU 70 Cb 0.33 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.58 2pnf h GLU 70 CO 0.01 0.74 0.45 1.03 -0.73 0.00 0.00 179.01 180.51 2pnf h SER 71 N 0.61 0.78 0.25 1.04 0.87 -1.71 -1.30 113.55 114.10 2pnf h SER 71 Ca 0.14 -0.02 -0.01 0.00 -1.23 0.00 0.00 61.79 60.67 2pnf h SER 71 Cb 0.34 -0.19 0.00 0.00 -0.44 0.00 0.00 62.40 62.11 2pnf h SER 71 CO 0.00 0.56 -0.12 0.40 -0.53 0.00 0.00 176.83 177.14 2pnf h ILE 72 N 0.92 0.79 -0.22 2.23 2.04 -1.18 -0.13 117.51 121.96 2pnf h ILE 72 Ca 0.25 -0.29 -0.03 0.00 1.00 0.00 0.00 64.86 65.79 2pnf h ILE 72 Cb -0.11 0.96 -0.01 0.00 -0.74 0.00 0.00 36.82 36.92 2pnf h ILE 72 CO -0.05 0.06 -0.01 0.78 0.00 0.00 0.00 178.15 178.93 2pnf h ASN 73 N -0.49 0.29 -0.12 1.72 2.35 -1.26 -1.57 115.58 116.51 2pnf h ASN 73 Ca -0.03 -0.04 -0.14 0.00 -0.55 0.00 0.00 56.30 55.53 2pnf h ASN 73 Cb 0.37 -0.08 -0.01 0.00 0.05 0.00 0.00 38.32 38.65 2pnf h ASN 73 CO 0.06 0.36 -0.41 0.50 -1.65 0.00 0.00 177.43 176.29 2pnf h LYS 74 N 0.31 0.65 -0.60 0.81 3.64 -1.07 -1.82 116.57 118.50 2pnf h LYS 74 Ca 0.07 -0.34 -0.09 0.00 -1.27 0.00 0.00 60.65 59.03 2pnf h LYS 74 Cb 0.23 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.03 2pnf h LYS 74 CO 0.01 0.94 0.03 0.00 -2.27 0.00 0.00 179.45 178.16 2pnf h ALA 75 N 1.02 0.91 0.00 5.00 0.00 -0.35 -2.65 119.26 123.19 2pnf h ALA 75 Ca 0.04 -0.29 -0.08 0.00 0.00 0.00 0.00 54.91 54.58 2pnf h ALA 75 Cb 0.93 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 2pnf h ALA 75 CO 0.08 0.65 -0.38 0.74 0.00 0.00 0.00 179.25 180.35 2pnf h PHE 76 N 0.95 0.00 -0.69 0.00 0.04 -0.98 0.32 116.94 116.58 2pnf h PHE 76 Ca 0.18 0.00 -0.07 0.00 2.80 0.00 0.00 57.97 60.88 2pnf h PHE 76 Cb 0.51 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.63 2pnf h PHE 76 CO 0.03 0.38 0.17 1.49 -0.60 0.00 0.00 178.31 179.78 2pnf h GLU 77 N 0.00 1.11 -0.28 1.51 4.81 -0.99 -0.86 114.58 119.88 2pnf h GLU 77 Ca -0.00 -0.27 -0.04 0.00 -0.13 0.00 0.00 59.36 58.91 2pnf h GLU 77 Cb 0.70 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.93 2pnf h GLU 77 CO 0.05 0.98 0.00 1.49 -0.73 0.00 0.00 179.01 180.80 2pnf h GLU 78 N 1.04 0.50 -0.51 1.92 4.81 -1.16 -3.02 114.58 118.15 2pnf h GLU 78 Ca 0.22 -0.16 0.05 0.00 -0.13 0.00 0.00 59.36 59.34 2pnf h GLU 78 Cb 0.37 -0.05 -0.05 0.00 0.63 0.00 0.00 28.75 29.66 2pnf h GLU 78 CO 0.00 0.65 0.23 0.82 -0.73 0.00 0.00 179.01 179.99 2pnf h ILE 79 N 0.28 0.91 0.00 2.32 2.04 -0.66 -2.14 117.51 120.27 2pnf h ILE 79 Ca 0.08 -0.16 0.00 0.00 1.00 0.00 0.00 64.86 65.78 2pnf h ILE 79 Cb 0.43 0.42 0.00 0.00 -0.74 0.00 0.00 36.82 36.92 2pnf h ILE 79 CO 0.01 0.08 0.00 -1.22 0.00 0.00 0.00 178.15 177.03 2pnf n TYR 80 N -4.92 0.00 1.01 1.37 4.01 -0.35 -1.16 117.16 117.11 2pnf n TYR 80 Ca 0.05 0.00 0.11 0.00 -0.16 0.00 0.00 57.90 57.90 2pnf n TYR 80 Cb 0.16 -0.36 0.10 0.00 -0.31 0.00 0.00 39.34 38.93 2pnf n TYR 80 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 2pnf n ASN 81 N -1.36 0.74 -0.09 7.72 4.05 -0.82 -4.28 115.26 121.22 2pnf n ASN 81 Ca 0.08 -0.59 -0.09 0.00 0.45 0.00 0.00 54.58 54.43 2pnf n ASN 81 Cb 0.18 0.56 -0.13 0.00 1.23 0.00 0.00 39.78 41.62 2pnf n ASN 81 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 177.26 174.39 2pnf n LEU 82 N -1.46 0.36 -4.25 1.20 4.77 -0.31 -5.03 117.00 112.29 2pnf n LEU 82 Ca 0.05 -0.01 -0.15 0.00 -0.03 0.00 0.00 56.01 55.87 2pnf n LEU 82 Cb 0.34 0.27 -0.10 0.00 -2.33 0.00 0.00 43.42 41.60 2pnf n LEU 82 CO 0.38 0.47 -0.42 0.68 -1.33 0.00 0.00 177.39 177.17 2pnf s VAL 83 N -2.41 1.22 0.24 4.08 -7.23 -0.64 -5.03 120.40 110.62 2pnf s VAL 83 Ca -0.11 -1.98 -0.07 0.00 -1.81 0.00 0.00 61.98 58.01 2pnf s VAL 83 Cb 0.05 -1.77 0.23 0.00 0.56 0.00 0.00 36.38 35.45 2pnf s VAL 83 CO 0.67 -0.67 1.90 0.44 -0.31 0.00 0.00 175.10 177.13 2pnf h ASP 84 N 2.95 1.10 0.00 4.85 3.32 -1.88 -3.41 116.42 123.34 2pnf h ASP 84 Ca -0.37 -0.05 0.00 0.00 0.02 0.00 0.00 57.03 56.63 2pnf h ASP 84 Cb 1.19 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 40.47 2pnf h ASP 84 CO 0.60 0.82 0.00 0.61 -1.72 0.00 0.00 179.24 179.56 2pnf n GLY 85 N -1.30 -1.35 3.44 2.75 0.00 -1.26 -4.95 105.19 102.52 2pnf n GLY 85 Ca 0.11 -0.96 -0.33 0.00 0.00 0.00 0.00 46.02 44.84 2pnf n GLY 85 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2pnf s ILE 86 N -2.70 3.49 -0.21 -0.61 1.01 -1.26 -4.69 121.20 116.23 2pnf s ILE 86 Ca 0.00 -0.50 0.15 0.00 0.00 0.00 0.00 60.65 60.30 2pnf s ILE 86 Cb 0.00 -2.50 -0.24 0.00 0.01 0.00 0.00 42.46 39.73 2pnf s ILE 86 CO 0.00 0.51 0.02 0.47 0.00 0.00 0.00 174.94 175.94 2pnf n ASP 87 N 3.54 0.35 -3.97 3.58 8.00 -0.51 -3.93 116.55 123.62 2pnf n ASP 87 Ca -0.18 -0.02 -0.22 0.00 0.71 0.00 0.00 54.79 55.08 2pnf n ASP 87 Cb 0.53 0.77 -0.16 0.00 -0.02 0.00 0.00 41.12 42.23 2pnf n ASP 87 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2pnf s ILE 88 N -2.49 0.86 -0.10 0.53 1.01 -0.76 -2.10 121.20 118.15 2pnf s ILE 88 Ca -0.14 -0.33 0.02 0.00 0.00 0.00 0.00 60.65 60.20 2pnf s ILE 88 Cb 0.06 -0.81 0.01 0.00 0.01 0.00 0.00 42.46 41.74 2pnf s ILE 88 CO 0.79 0.29 -0.17 -0.22 0.00 0.00 0.00 174.94 175.63 2pnf s LEU 89 N 0.67 1.79 -0.30 2.97 2.96 -0.11 -0.69 118.68 125.97 2pnf s LEU 89 Ca -0.12 -0.43 -0.01 0.00 -0.22 0.00 0.00 54.13 53.35 2pnf s LEU 89 Cb -0.14 -1.11 0.06 0.00 0.50 0.00 0.00 46.19 45.49 2pnf s LEU 89 CO 0.02 0.05 -0.01 -0.69 -1.32 0.00 0.00 176.35 174.40 2pnf s VAL 90 N 0.79 2.84 -0.96 1.68 1.01 0.03 -0.53 120.40 125.26 2pnf s VAL 90 Ca -0.11 -1.48 -0.21 0.00 0.00 0.00 0.00 61.98 60.18 2pnf s VAL 90 Cb -0.16 -2.66 0.10 0.00 0.00 0.00 0.00 36.38 33.66 2pnf s VAL 90 CO 0.01 -0.13 1.26 0.20 0.00 0.00 0.00 175.10 176.44 2pnf s ASN 91 N 1.24 6.57 -0.16 3.32 0.01 0.39 -2.08 114.94 124.23 2pnf s ASN 91 Ca -0.05 -1.78 0.14 0.00 -0.71 0.00 0.00 52.86 50.45 2pnf s ASN 91 Cb -0.20 -2.47 -0.19 0.00 0.41 0.00 0.00 41.25 38.80 2pnf s ASN 91 CO -0.02 -1.25 0.04 -3.20 -1.51 0.00 0.00 177.10 171.16 2pnf n ASN 92 N 7.54 1.11 -4.69 -1.22 5.15 -1.25 -1.19 115.26 120.71 2pnf n ASN 92 Ca 0.27 -0.01 -0.44 0.00 -0.60 0.00 0.00 54.58 53.80 2pnf n ASN 92 Cb 0.50 0.83 -0.03 0.00 -0.53 0.00 0.00 39.78 40.55 2pnf n ASN 92 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2pnf n ALA 93 N -2.62 1.83 -3.56 5.20 0.00 -1.05 -4.90 120.51 115.41 2pnf n ALA 93 Ca -0.27 0.42 -0.11 0.00 0.00 0.00 0.00 53.44 53.48 2pnf n ALA 93 Cb 1.02 -2.40 -0.05 0.00 0.00 0.00 0.00 19.45 18.02 2pnf n ALA 93 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2pnf s GLY 94 N 0.84 -0.35 0.19 0.00 0.00 -1.26 -4.71 107.32 102.03 2pnf s GLY 94 Ca 0.75 1.76 0.04 0.00 0.00 0.00 0.00 44.72 47.26 2pnf s GLY 94 CO 0.39 0.92 -0.04 -0.26 0.00 0.00 0.00 173.10 174.11 2pnf s ILE 95 N -1.42 1.02 0.15 0.90 -4.36 -1.26 -5.05 121.20 111.18 2pnf s ILE 95 Ca -0.02 -2.03 0.10 0.00 -0.26 0.00 0.00 60.65 58.43 2pnf s ILE 95 Cb -0.00 -2.14 -0.04 0.00 1.25 0.00 0.00 42.46 41.53 2pnf s ILE 95 CO 0.01 -0.49 -0.23 0.42 0.24 0.00 0.00 174.94 174.90 2pnf s THR 96 N -3.43 2.05 -0.44 8.37 -4.23 -1.26 -4.89 115.64 111.80 2pnf s THR 96 Ca 0.24 -1.83 0.05 0.00 -1.18 0.00 0.00 61.69 58.97 2pnf s THR 96 Cb 0.05 -1.89 0.18 0.00 1.34 0.00 0.00 72.50 72.17 2pnf s THR 96 CO 0.05 -0.11 0.46 0.54 -0.54 0.00 0.00 174.62 175.03 2pnf n ARG 97 N 0.61 0.30 -2.32 3.99 5.12 -1.26 -5.03 116.66 118.07 2pnf n ARG 97 Ca -0.16 -2.83 -0.41 0.00 -1.93 0.00 0.00 57.85 52.53 2pnf n ARG 97 Cb 0.55 -1.60 -0.03 0.00 -1.16 0.00 0.00 32.46 30.21 2pnf n ARG 97 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 2pnf s ASP 98 N 0.27 7.04 -0.28 0.55 1.01 -1.26 -4.86 116.67 119.14 2pnf s ASP 98 Ca 0.32 2.38 -0.26 0.00 0.71 0.00 0.00 52.55 55.70 2pnf s ASP 98 Cb 0.03 -2.62 0.16 0.00 1.01 0.00 0.00 42.92 41.49 2pnf s ASP 98 CO -0.15 -0.36 1.22 -0.75 0.21 0.00 0.00 175.17 175.33 2pnf s LYS 99 N -0.96 0.30 0.55 8.23 2.47 -0.65 -5.05 119.74 124.63 2pnf s LYS 99 Ca 0.50 0.29 -0.21 0.00 -1.56 0.00 0.00 55.97 54.99 2pnf s LYS 99 Cb -0.35 0.14 -0.05 0.00 -1.46 0.00 0.00 37.83 36.12 2pnf s LYS 99 CO 0.42 -0.05 1.35 -0.51 0.16 0.00 0.00 175.35 176.73 2pnf s LEU 100 N -0.09 3.83 0.12 5.43 1.43 -1.26 -4.42 118.68 123.72 2pnf s LEU 100 Ca 0.05 2.76 -0.28 0.00 -1.03 0.00 0.00 54.13 55.63 2pnf s LEU 100 Cb -0.04 -4.30 -0.07 0.00 0.03 0.00 0.00 46.19 41.81 2pnf s LEU 100 CO -0.09 -1.61 1.62 0.15 0.23 0.00 0.00 176.35 176.65 2pnf h PHE 101 N 1.39 -0.83 0.00 0.29 3.57 -1.97 -1.46 116.94 117.92 2pnf h PHE 101 Ca -0.51 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.01 2pnf h PHE 101 Cb 1.30 0.36 0.00 0.00 2.79 0.00 0.00 35.95 40.40 2pnf h PHE 101 CO 0.46 -0.41 0.35 -0.07 -2.23 0.00 0.00 178.31 176.41 2pnf h LEU 102 N -0.50 0.00 -2.53 0.59 3.38 -2.05 -0.59 115.31 113.61 2pnf h LEU 102 Ca 0.04 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 2pnf h LEU 102 Cb 0.55 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.29 2pnf h LEU 102 CO -0.21 0.00 -0.27 0.54 0.09 0.00 0.00 178.44 178.60 2pnf n ARG 103 N -2.31 0.66 -2.53 1.13 1.74 -0.60 -5.04 116.66 109.71 2pnf n ARG 103 Ca -0.01 -1.85 -0.41 0.00 -0.77 0.00 0.00 57.85 54.81 2pnf n ARG 103 Cb 0.38 -1.00 -0.04 0.00 -1.02 0.00 0.00 32.46 30.78 2pnf n ARG 103 CO 0.00 0.00 0.00 1.41 -1.52 0.00 0.00 177.63 177.52 2pnf s MET 104 N -1.48 4.55 0.62 5.56 1.75 -0.23 -4.89 119.30 125.18 2pnf s MET 104 Ca 0.17 1.67 -0.12 0.00 -1.25 0.00 0.00 55.69 56.17 2pnf s MET 104 Cb 0.15 -3.33 -0.03 0.00 2.84 0.00 0.00 34.83 34.46 2pnf s MET 104 CO 0.01 -0.02 1.03 -1.54 -0.65 0.00 0.00 175.02 173.85 2pnf s SER 105 N 0.35 6.06 0.27 1.11 1.04 -1.26 -4.93 113.70 116.35 2pnf s SER 105 Ca 0.52 1.50 -0.02 0.00 0.48 0.00 0.00 55.95 58.44 2pnf s SER 105 Cb -0.28 -2.48 0.38 0.00 0.10 0.00 0.00 66.02 63.74 2pnf s SER 105 CO 0.32 -0.98 1.81 0.25 0.98 0.00 0.00 173.24 175.62 2pnf h LEU 106 N -0.22 0.79 -0.68 2.42 5.85 -1.99 -2.02 115.31 119.45 2pnf h LEU 106 Ca -0.44 -0.15 -0.08 0.00 0.84 0.00 0.00 57.88 58.05 2pnf h LEU 106 Cb 1.20 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.99 2pnf h LEU 106 CO 0.61 0.78 0.10 0.25 -0.34 0.00 0.00 178.44 179.83 2pnf h LEU 107 N 0.81 1.07 -0.98 2.25 5.85 -1.98 0.16 115.31 122.49 2pnf h LEU 107 Ca 0.17 -0.26 -0.02 0.00 0.84 0.00 0.00 57.88 58.61 2pnf h LEU 107 Cb 0.32 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 41.02 2pnf h LEU 107 CO 0.00 1.07 0.44 0.44 -0.34 0.00 0.00 178.44 180.05 2pnf h ASP 108 N 1.04 1.05 0.21 1.25 3.32 -1.76 -1.20 116.42 120.33 2pnf h ASP 108 Ca 0.20 -0.10 -0.01 0.00 0.02 0.00 0.00 57.03 57.14 2pnf h ASP 108 Cb 0.46 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 39.74 2pnf h ASP 108 CO 0.02 0.85 -0.10 -0.25 -1.72 0.00 0.00 179.24 178.03 2pnf h TRP 109 N 1.17 -0.27 -0.27 4.55 2.91 -1.04 -3.23 115.95 119.78 2pnf h TRP 109 Ca 0.29 -0.01 -0.07 0.00 1.13 0.00 0.00 58.89 60.24 2pnf h TRP 109 Cb 0.05 0.09 -0.02 0.00 -0.51 0.00 0.00 29.16 28.77 2pnf h TRP 109 CO 0.01 0.09 -0.12 0.93 -1.03 0.00 0.00 178.44 178.32 2pnf h GLU 110 N -0.68 0.45 -0.58 2.65 5.08 -0.53 -2.36 114.58 118.61 2pnf h GLU 110 Ca -0.03 -0.13 -0.08 0.00 -1.00 0.00 0.00 59.36 58.13 2pnf h GLU 110 Cb 0.48 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.65 2pnf h GLU 110 CO 0.05 0.58 0.06 0.93 -1.00 0.00 0.00 179.01 179.62 2pnf h GLU 111 N 0.42 0.96 -0.40 2.33 5.08 -1.33 0.29 114.58 121.93 2pnf h GLU 111 Ca 0.08 -0.26 -0.05 0.00 -1.00 0.00 0.00 59.36 58.13 2pnf h GLU 111 Cb 0.47 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.59 2pnf h GLU 111 CO 0.03 0.92 0.04 0.28 -1.00 0.00 0.00 179.01 179.27 2pnf h VAL 112 N 0.90 1.25 -0.40 3.13 2.07 -1.50 -1.46 116.25 120.24 2pnf h VAL 112 Ca 0.18 -0.93 -0.10 0.00 0.82 0.00 0.00 66.70 66.67 2pnf h VAL 112 Cb 0.45 1.07 -0.02 0.00 -1.52 0.00 0.00 31.29 31.28 2pnf h VAL 112 CO 0.02 0.32 -0.15 -0.07 0.02 0.00 0.00 177.57 177.70 2pnf h LEU 113 N 0.52 0.74 -0.45 2.57 4.07 -1.20 -1.09 115.31 120.47 2pnf h LEU 113 Ca 0.12 -0.23 -0.06 0.00 0.08 0.00 0.00 57.88 57.79 2pnf h LEU 113 Cb 0.42 -0.20 -0.02 0.00 1.08 0.00 0.00 40.66 41.94 2pnf h LEU 113 CO 0.01 0.90 0.06 0.50 -1.08 0.00 0.00 178.44 178.84 2pnf h LYS 114 N 0.67 0.75 0.00 1.13 1.63 -0.11 -1.55 116.57 119.09 2pnf h LYS 114 Ca 0.11 -0.21 -0.00 0.00 -0.85 0.00 0.00 60.65 59.70 2pnf h LYS 114 Cb 0.63 -0.08 0.00 0.00 -0.60 0.00 0.00 32.23 32.17 2pnf h LYS 114 CO 0.04 0.77 -0.00 0.28 -3.45 0.00 0.00 179.45 177.10 2pnf h VAL 115 N 0.61 1.73 -0.06 2.00 2.07 -1.28 0.15 116.25 121.47 2pnf h VAL 115 Ca 0.13 -2.23 -0.17 0.00 0.82 0.00 0.00 66.70 65.26 2pnf h VAL 115 Cb 0.40 3.23 -0.01 0.00 -1.52 0.00 0.00 31.29 33.38 2pnf h VAL 115 CO 0.01 0.57 -0.71 0.78 0.02 0.00 0.00 177.57 178.25 2pnf h ASN 116 N -0.96 0.35 0.00 0.57 2.35 -1.24 -2.95 115.58 113.69 2pnf h ASN 116 Ca -0.00 -0.22 -0.11 0.00 -0.55 0.00 0.00 56.30 55.42 2pnf h ASN 116 Cb 0.94 -0.10 -0.02 0.00 0.05 0.00 0.00 38.32 39.19 2pnf h ASN 116 CO 0.00 0.94 -1.19 0.18 -1.65 0.00 0.00 177.43 175.71 2pnf n LEU 117 N -3.81 1.69 -0.20 1.61 4.77 -0.64 -4.18 117.00 116.23 2pnf n LEU 117 Ca -0.03 0.28 -0.09 0.00 -0.03 0.00 0.00 56.01 56.14 2pnf n LEU 117 Cb 0.69 -0.65 0.03 0.00 -2.33 0.00 0.00 43.42 41.16 2pnf n LEU 117 CO 0.46 -0.14 0.81 0.74 -1.33 0.00 0.00 177.39 177.93 2pnf h THR 118 N -0.78 1.27 -0.53 -5.08 2.02 -1.33 0.81 112.91 109.30 2pnf h THR 118 Ca -0.16 -1.18 -0.03 0.00 0.77 0.00 0.00 66.41 65.81 2pnf h THR 118 Cb 0.98 0.83 -0.02 0.00 -1.74 0.00 0.00 68.15 68.20 2pnf h THR 118 CO -0.10 0.43 0.23 1.23 0.37 0.00 0.00 175.52 177.68 2pnf h GLY 119 N 0.98 0.83 1.00 2.16 0.00 -0.51 -0.39 103.07 107.14 2pnf h GLY 119 Ca 0.17 -0.44 -0.03 0.00 0.00 0.00 0.00 47.33 47.02 2pnf h GLY 119 CO 0.04 0.41 0.26 -0.84 0.00 0.00 0.00 176.54 176.41 2pnf h THR 120 N 0.71 1.23 -0.02 4.70 2.02 -1.50 -0.18 112.91 119.86 2pnf h THR 120 Ca 0.18 -0.71 0.03 0.00 0.77 0.00 0.00 66.41 66.67 2pnf h THR 120 Cb 0.17 0.52 -0.03 0.00 -1.74 0.00 0.00 68.15 67.07 2pnf h THR 120 CO -0.02 0.28 -0.15 0.15 0.37 0.00 0.00 175.52 176.16 2pnf h PHE 121 N 0.88 -0.37 -0.39 3.16 3.57 -0.29 -1.31 116.94 122.19 2pnf h PHE 121 Ca 0.21 0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.66 2pnf h PHE 121 Cb 0.19 0.17 -0.01 0.00 2.79 0.00 0.00 35.95 39.09 2pnf h PHE 121 CO 0.01 -0.21 -0.02 -0.07 -2.23 0.00 0.00 178.31 175.78 2pnf h LEU 122 N -0.23 0.69 -0.63 0.59 3.38 -0.89 -0.35 115.31 117.87 2pnf h LEU 122 Ca 0.06 -0.32 -0.03 0.00 0.09 0.00 0.00 57.88 57.68 2pnf h LEU 122 Cb 0.31 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.84 2pnf h LEU 122 CO -0.16 0.85 0.28 0.58 0.09 0.00 0.00 178.44 180.08 2pnf h VAL 123 N 0.52 1.22 -0.26 1.22 2.07 -1.01 -1.74 116.25 118.27 2pnf h VAL 123 Ca 0.11 -0.65 -0.03 0.00 0.82 0.00 0.00 66.70 66.94 2pnf h VAL 123 Cb 0.51 0.49 -0.01 0.00 -1.52 0.00 0.00 31.29 30.76 2pnf h VAL 123 CO 0.02 0.26 0.03 0.74 0.02 0.00 0.00 177.57 178.65 2pnf h THR 124 N 0.87 1.24 -0.81 2.57 2.02 -1.08 -2.02 112.91 115.69 2pnf h THR 124 Ca 0.21 -0.82 0.05 0.00 0.77 0.00 0.00 66.41 66.62 2pnf h THR 124 Cb 0.15 1.26 -0.05 0.00 -1.74 0.00 0.00 68.15 67.77 2pnf h THR 124 CO -0.02 0.26 0.53 -0.61 0.37 0.00 0.00 175.52 176.05 2pnf h GLN 125 N 0.25 0.93 0.00 6.66 4.15 -0.83 -1.84 115.11 124.43 2pnf h GLN 125 Ca 0.08 -0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.44 2pnf h GLN 125 Cb 0.36 -0.21 0.00 0.00 0.21 0.00 0.00 27.48 27.84 2pnf h GLN 125 CO 0.01 0.62 0.00 -0.91 -1.93 0.00 0.00 178.83 176.61 2pnf h ASN 126 N 0.96 0.00 0.08 -0.69 2.35 -1.10 -3.27 115.58 113.91 2pnf h ASN 126 Ca 0.33 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.08 2pnf h ASN 126 Cb 0.11 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.48 2pnf h ASN 126 CO -0.11 0.00 -0.85 -1.20 -1.65 0.00 0.00 177.43 173.62 2pnf n SER 127 N -2.74 1.04 0.19 5.81 7.64 -0.71 -4.62 113.62 120.24 2pnf n SER 127 Ca 0.02 -0.94 0.06 0.00 1.01 0.00 0.00 58.87 59.02 2pnf n SER 127 Cb 0.35 0.81 0.35 0.00 -1.01 0.00 0.00 64.21 64.71 2pnf n SER 127 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 2pnf h LEU 128 N 0.30 0.00 -0.60 -3.43 3.38 -1.56 -3.40 115.31 110.00 2pnf h LEU 128 Ca 0.00 0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.03 2pnf h LEU 128 Cb 0.53 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.20 2pnf h LEU 128 CO 0.00 0.35 -0.40 -0.09 0.09 0.00 0.00 178.44 178.40 2pnf h ARG 129 N 0.00 -0.05 -0.45 1.13 2.43 -1.83 -1.44 114.38 114.18 2pnf h ARG 129 Ca -0.00 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.13 2pnf h ARG 129 Cb 0.88 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.42 2pnf h ARG 129 CO 0.05 -0.03 0.12 -0.22 -1.51 0.00 0.00 179.97 178.37 2pnf h LYS 130 N -0.05 0.66 -0.01 0.20 3.64 -1.79 -2.37 116.57 116.84 2pnf h LYS 130 Ca 0.10 -0.11 -0.00 0.00 -1.27 0.00 0.00 60.65 59.36 2pnf h LYS 130 Cb 0.30 -0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 32.01 2pnf h LYS 130 CO -0.59 0.59 0.01 0.52 -2.27 0.00 0.00 179.45 177.71 2pnf h MET 131 N 0.65 0.02 -0.47 1.90 2.86 -1.44 -1.44 114.93 117.00 2pnf h MET 131 Ca 0.15 -0.00 -0.10 0.00 -2.06 0.00 0.00 59.70 57.69 2pnf h MET 131 Cb 0.23 -0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.86 2pnf h MET 131 CO -0.01 0.12 -0.10 0.82 1.06 0.00 0.00 176.91 178.81 2pnf h ILE 132 N -0.10 1.26 -0.32 -1.22 2.04 -1.22 -0.63 117.51 117.33 2pnf h ILE 132 Ca 0.00 -1.20 -0.02 0.00 1.00 0.00 0.00 64.86 64.65 2pnf h ILE 132 Cb 0.11 1.00 -0.01 0.00 -0.74 0.00 0.00 36.82 37.18 2pnf h ILE 132 CO -0.00 0.41 0.12 0.50 0.00 0.00 0.00 178.15 179.19 2pnf h LYS 133 N 0.78 0.48 -0.01 2.37 3.64 -1.30 -3.03 116.57 119.50 2pnf h LYS 133 Ca 0.13 -0.09 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 2pnf h LYS 133 Cb 0.61 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.35 2pnf h LYS 133 CO 0.04 0.50 -0.17 0.00 -2.27 0.00 0.00 179.45 177.55 2pnf n GLN 134 N -4.71 1.17 -3.58 1.90 10.64 -0.55 -4.95 117.38 117.30 2pnf n GLN 134 Ca -0.02 -0.71 -0.22 0.00 -1.83 0.00 0.00 57.00 54.23 2pnf n GLN 134 Cb 0.14 -1.49 0.07 0.00 -0.86 0.00 0.00 30.24 28.11 2pnf n GLN 134 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.06 175.77 2pnf n ARG 135 N -0.30 -6.83 -3.64 2.61 1.74 -0.31 -5.00 116.66 104.94 2pnf n ARG 135 Ca 0.14 0.79 -0.06 0.00 -0.77 0.00 0.00 57.85 57.95 2pnf n ARG 135 Cb 0.36 -5.75 -0.07 0.00 -1.02 0.00 0.00 32.46 25.98 2pnf n ARG 135 CO 0.00 0.00 0.00 -0.46 -1.52 0.00 0.00 177.63 175.65 2pnf s TRP 136 N -3.38 -1.09 -0.18 -1.55 -0.00 -0.82 -4.61 118.94 107.31 2pnf s TRP 136 Ca 0.30 2.12 -0.30 0.00 -0.00 0.00 0.00 56.10 58.22 2pnf s TRP 136 Cb -0.14 0.65 0.14 0.00 -0.00 0.00 0.00 33.47 34.12 2pnf s TRP 136 CO 0.75 -0.54 1.10 0.20 -0.00 0.00 0.00 176.95 178.46 2pnf s GLY 137 N 1.84 -0.20 -0.05 5.86 0.00 -1.18 -4.27 107.32 109.32 2pnf s GLY 137 Ca -0.09 2.09 -0.00 0.00 0.00 0.00 0.00 44.72 46.72 2pnf s GLY 137 CO -0.19 0.93 -0.02 0.50 0.00 0.00 0.00 173.10 174.32 2pnf s ARG 138 N -1.41 0.61 -0.10 2.90 1.81 -0.89 -1.27 118.95 120.61 2pnf s ARG 138 Ca 0.03 0.02 0.03 0.00 -1.72 0.00 0.00 55.73 54.09 2pnf s ARG 138 Cb -0.01 -0.80 0.01 0.00 -0.45 0.00 0.00 34.95 33.70 2pnf s ARG 138 CO -0.02 -0.18 -0.20 0.42 -0.68 0.00 0.00 175.30 174.63 2pnf s ILE 139 N 1.36 1.82 -0.14 1.52 1.01 -0.14 -0.93 121.20 125.69 2pnf s ILE 139 Ca -0.05 -0.87 0.01 0.00 0.00 0.00 0.00 60.65 59.75 2pnf s ILE 139 Cb -0.13 -1.60 0.02 0.00 0.01 0.00 0.00 42.46 40.76 2pnf s ILE 139 CO -0.02 0.51 -0.15 -0.69 0.00 0.00 0.00 174.94 174.58 2pnf s VAL 140 N 0.56 1.60 -0.22 2.92 1.01 0.32 -1.28 120.40 125.31 2pnf s VAL 140 Ca -0.15 -0.66 -0.09 0.00 0.00 0.00 0.00 61.98 61.08 2pnf s VAL 140 Cb -0.17 -1.49 -0.04 0.00 0.00 0.00 0.00 36.38 34.68 2pnf s VAL 140 CO 0.05 0.46 0.10 0.20 0.00 0.00 0.00 175.10 175.92 2pnf s ASN 141 N 1.35 5.76 -0.38 3.32 0.01 0.09 -0.46 114.94 124.63 2pnf s ASN 141 Ca 0.02 0.05 -0.25 0.00 -0.71 0.00 0.00 52.86 51.97 2pnf s ASN 141 Cb -0.13 -2.02 0.02 0.00 0.41 0.00 0.00 41.25 39.53 2pnf s ASN 141 CO -0.09 0.10 0.91 -0.63 -1.51 0.00 0.00 177.10 175.88 2pnf s ILE 142 N 0.84 4.58 0.00 0.60 -1.09 -0.33 -1.41 121.20 124.39 2pnf s ILE 142 Ca 0.05 1.09 0.00 0.00 -2.23 0.00 0.00 60.65 59.56 2pnf s ILE 142 Cb -0.13 -4.33 0.00 0.00 -1.58 0.00 0.00 42.46 36.41 2pnf s ILE 142 CO 0.02 -0.57 0.00 -0.24 -1.23 0.00 0.00 174.94 172.93 2pnf n SER 143 N 6.79 0.00 -3.60 3.58 2.88 0.04 -4.88 113.62 118.43 2pnf n SER 143 Ca 0.06 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.52 2pnf n SER 143 Cb 0.48 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.89 2pnf n SER 143 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2pnf s SER 144 N -0.74 -0.34 0.54 -3.46 0.15 -1.26 -4.35 113.70 104.24 2pnf s SER 144 Ca 0.00 0.46 0.28 0.00 0.70 0.00 0.00 55.95 57.39 2pnf s SER 144 Cb 0.00 0.40 1.44 0.00 -1.71 0.00 0.00 66.02 66.15 2pnf s SER 144 CO 0.00 -0.25 1.95 1.62 1.20 0.00 0.00 173.24 177.76 2pnf h VAL 145 N 2.79 0.65 0.00 4.45 3.04 -1.41 0.26 116.25 126.02 2pnf h VAL 145 Ca -0.20 0.00 -0.00 0.00 -1.01 0.00 0.00 66.70 65.49 2pnf h VAL 145 Cb 1.17 0.66 -0.00 0.00 -2.01 0.00 0.00 31.29 31.11 2pnf h VAL 145 CO 0.25 0.00 -0.01 0.58 -1.01 0.00 0.00 177.57 177.38 2pnf h VAL 146 N 0.00 0.03 0.00 1.51 2.07 -1.88 -0.63 116.25 117.35 2pnf h VAL 146 Ca 0.32 -0.40 0.00 0.00 0.82 0.00 0.00 66.70 67.44 2pnf h VAL 146 Cb 1.30 1.39 0.00 0.00 -1.52 0.00 0.00 31.29 32.46 2pnf h VAL 146 CO -0.00 0.01 0.00 1.23 0.02 0.00 0.00 177.57 178.83 2pnf h GLY 147 N 1.50 0.00 0.00 2.17 0.00 -1.16 0.62 103.07 106.20 2pnf h GLY 147 Ca -0.00 0.00 -0.36 0.00 0.00 0.00 0.00 47.33 46.97 2pnf h GLY 147 CO 0.00 0.00 -2.35 0.69 0.00 0.00 0.00 176.54 174.88 2pnf n PHE 148 N -2.44 0.00 0.01 5.60 3.72 -0.31 -4.15 117.46 119.89 2pnf n PHE 148 Ca 0.03 0.00 0.04 0.00 -0.05 0.00 0.00 57.45 57.47 2pnf n PHE 148 Cb 0.34 -0.93 -0.10 0.00 -0.94 0.00 0.00 39.48 37.84 2pnf n PHE 148 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 2pnf n THR 149 N -3.07 0.78 0.00 4.37 -2.24 -0.79 -5.10 114.28 108.23 2pnf n THR 149 Ca -0.39 -0.64 0.00 0.00 -2.27 0.00 0.00 64.05 60.75 2pnf n THR 149 Cb 1.00 -0.41 0.00 0.00 -2.10 0.00 0.00 70.33 68.82 2pnf n THR 149 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2pnf n GLY 150 N 1.37 -2.02 3.58 3.38 0.00 0.21 -5.05 105.19 106.66 2pnf n GLY 150 Ca -0.10 -1.51 -0.09 0.00 0.00 0.00 0.00 46.02 44.33 2pnf n GLY 150 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2pnf s ASN 151 N -3.62 -0.85 0.26 1.61 2.47 -1.26 -4.85 114.94 108.70 2pnf s ASN 151 Ca 0.00 1.41 -0.31 0.00 0.42 0.00 0.00 52.86 54.38 2pnf s ASN 151 Cb 0.00 1.31 -0.13 0.00 -1.45 0.00 0.00 41.25 40.99 2pnf s ASN 151 CO 0.00 -0.23 1.51 0.52 -3.72 0.00 0.00 177.10 175.18 2pnf n VAL 152 N 4.00 0.87 -0.92 -5.21 0.31 -1.26 -1.76 118.33 114.36 2pnf n VAL 152 Ca -0.19 -0.22 0.00 0.00 -0.01 0.00 0.00 64.34 63.92 2pnf n VAL 152 Cb 0.58 -1.71 0.00 0.00 -0.91 0.00 0.00 33.84 31.80 2pnf n VAL 152 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2pnf n GLY 153 N 2.33 0.93 2.01 2.92 0.00 -1.26 -4.88 105.19 107.24 2pnf n GLY 153 Ca 0.11 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.07 2pnf n GLY 153 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2pnf n GLN 154 N -2.06 1.98 -0.25 1.61 6.02 -0.72 -1.64 117.38 122.32 2pnf n GLN 154 Ca 0.00 -3.41 0.06 0.00 -0.01 0.00 0.00 57.00 53.63 2pnf n GLN 154 Cb 0.00 -1.53 0.30 0.00 1.02 0.00 0.00 30.24 30.03 2pnf n GLN 154 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 2pnf h VAL 155 N 4.11 1.03 0.02 5.09 2.07 -1.84 0.24 116.25 126.97 2pnf h VAL 155 Ca 0.02 -0.30 -0.00 0.00 0.82 0.00 0.00 66.70 67.24 2pnf h VAL 155 Cb 1.42 0.07 0.00 0.00 -1.52 0.00 0.00 31.29 31.26 2pnf h VAL 155 CO 0.32 0.16 -0.01 -0.55 0.02 0.00 0.00 177.57 177.51 2pnf h ASN 156 N 0.89 -0.02 -0.39 0.57 -1.07 -1.92 -1.58 115.58 112.07 2pnf h ASN 156 Ca 0.36 -0.34 -0.01 0.00 0.07 0.00 0.00 56.30 56.38 2pnf h ASN 156 Cb 0.25 0.01 -0.02 0.00 -2.07 0.00 0.00 38.32 36.49 2pnf h ASN 156 CO -0.13 0.33 0.21 0.22 0.07 0.00 0.00 177.43 178.13 2pnf h TYR 157 N -0.37 0.54 -0.85 4.14 3.20 -1.81 -2.13 116.97 119.68 2pnf h TYR 157 Ca -0.00 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.83 2pnf h TYR 157 Cb 0.36 -0.17 -0.04 0.00 1.54 0.00 0.00 36.73 38.42 2pnf h TYR 157 CO 0.04 0.42 0.45 1.03 -1.64 0.00 0.00 178.16 178.46 2pnf h SER 158 N 0.50 1.07 -0.42 -2.11 0.87 -0.57 -0.67 113.55 112.22 2pnf h SER 158 Ca 0.14 -0.11 0.05 0.00 -1.23 0.00 0.00 61.79 60.64 2pnf h SER 158 Cb 0.06 -0.27 -0.05 0.00 -0.44 0.00 0.00 62.40 61.70 2pnf h SER 158 CO -0.02 0.87 0.14 0.74 -0.53 0.00 0.00 176.83 178.02 2pnf h THR 159 N 1.18 0.85 -0.25 2.23 2.02 -1.06 -0.79 112.91 117.11 2pnf h THR 159 Ca 0.30 -0.10 -0.15 0.00 0.77 0.00 0.00 66.41 67.22 2pnf h THR 159 Cb 0.05 0.53 -0.01 0.00 -1.74 0.00 0.00 68.15 66.98 2pnf h THR 159 CO -0.05 0.05 -0.47 0.71 0.37 0.00 0.00 175.52 176.14 2pnf h THR 160 N 0.29 1.30 -0.04 3.16 1.35 -0.84 0.41 112.91 118.55 2pnf h THR 160 Ca 0.20 -1.67 -0.11 0.00 -0.55 0.00 0.00 66.41 64.27 2pnf h THR 160 Cb 0.20 1.62 -0.01 0.00 -1.73 0.00 0.00 68.15 68.22 2pnf h THR 160 CO -0.21 0.53 -0.48 0.11 -0.25 0.00 0.00 175.52 175.23 2pnf h LYS 161 N 0.52 0.10 0.03 4.72 1.79 -0.90 -0.20 116.57 122.63 2pnf h LYS 161 Ca 0.03 -0.05 -0.27 0.00 -2.18 0.00 0.00 60.65 58.18 2pnf h LYS 161 Cb 1.02 0.00 0.02 0.00 -1.58 0.00 0.00 32.23 31.69 2pnf h LYS 161 CO 0.10 0.56 -1.08 0.00 -1.08 0.00 0.00 179.45 177.95 2pnf h ALA 162 N 1.43 0.15 -0.65 3.86 0.00 -1.09 -3.23 119.26 119.73 2pnf h ALA 162 Ca 0.00 -0.72 0.04 0.00 0.00 0.00 0.00 54.91 54.23 2pnf h ALA 162 Cb 0.88 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.68 2pnf h ALA 162 CO 0.07 0.73 0.43 0.78 0.00 0.00 0.00 179.25 181.25 2pnf h GLY 163 N 0.61 0.88 2.00 0.00 0.00 -0.50 -1.35 103.07 104.70 2pnf h GLY 163 Ca -0.13 -0.30 -0.01 0.00 0.00 0.00 0.00 47.33 46.89 2pnf h GLY 163 CO 0.20 0.25 -0.03 1.41 0.00 0.00 0.00 176.54 178.38 2pnf h LEU 164 N 0.76 0.00 -0.11 3.11 3.38 -1.06 -0.90 115.31 120.49 2pnf h LEU 164 Ca 0.27 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 58.05 2pnf h LEU 164 Cb 0.11 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.87 2pnf h LEU 164 CO -0.08 0.03 -0.65 0.40 0.09 0.00 0.00 178.44 178.23 2pnf h ILE 165 N 0.00 1.33 -0.56 1.22 1.08 -1.35 0.58 117.51 119.81 2pnf h ILE 165 Ca -0.00 -1.93 -0.04 0.00 -0.39 0.00 0.00 64.86 62.50 2pnf h ILE 165 Cb 0.16 2.16 -0.02 0.00 -3.07 0.00 0.00 36.82 36.04 2pnf h ILE 165 CO 0.00 0.59 0.18 1.23 -0.69 0.00 0.00 178.15 179.46 2pnf h GLY 166 N 0.28 0.94 0.64 5.37 0.00 -1.37 -0.64 103.07 108.30 2pnf h GLY 166 Ca -0.05 -0.55 0.04 0.00 0.00 0.00 0.00 47.33 46.76 2pnf h GLY 166 CO 0.13 0.52 0.01 -2.75 0.00 0.00 0.00 176.54 174.45 2pnf h PHE 167 N 0.79 0.01 -0.09 5.60 3.57 -1.14 -1.32 116.94 124.36 2pnf h PHE 167 Ca 0.18 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.70 2pnf h PHE 167 Cb 0.28 0.03 -0.00 0.00 2.79 0.00 0.00 35.95 39.05 2pnf h PHE 167 CO 0.02 -0.02 0.05 1.15 -2.23 0.00 0.00 178.31 177.28 2pnf h THR 168 N 0.09 1.05 -0.43 4.41 2.02 -0.52 -0.90 112.91 118.63 2pnf h THR 168 Ca 0.11 -0.11 -0.11 0.00 0.77 0.00 0.00 66.41 67.07 2pnf h THR 168 Cb 0.14 0.97 -0.02 0.00 -1.74 0.00 0.00 68.15 67.50 2pnf h THR 168 CO -0.18 0.04 -0.19 0.11 0.37 0.00 0.00 175.52 175.67 2pnf h LYS 169 N 0.09 0.83 -0.17 6.66 1.57 -1.01 -0.32 116.57 124.23 2pnf h LYS 169 Ca 0.03 -0.32 -0.06 0.00 -1.87 0.00 0.00 60.65 58.43 2pnf h LYS 169 Cb 0.02 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.28 2pnf h LYS 169 CO -0.01 0.95 -0.13 0.77 -0.57 0.00 0.00 179.45 180.46 2pnf h SER 170 N 0.73 0.40 -0.20 0.86 0.02 -1.18 -2.65 113.55 111.52 2pnf h SER 170 Ca 0.11 -0.45 -0.10 0.00 -0.84 0.00 0.00 61.79 60.50 2pnf h SER 170 Cb 0.71 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 63.12 2pnf h SER 170 CO 0.05 0.77 -0.22 0.25 -1.14 0.00 0.00 176.83 176.55 2pnf h LEU 171 N 0.03 0.66 -0.69 5.07 5.85 -1.14 -2.34 115.31 122.76 2pnf h LEU 171 Ca 0.03 -0.23 0.01 0.00 0.84 0.00 0.00 57.88 58.53 2pnf h LEU 171 Cb 0.64 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.46 2pnf h LEU 171 CO 0.03 0.87 0.46 0.00 -0.34 0.00 0.00 178.44 179.46 2pnf h ALA 172 N 1.18 0.88 -0.61 1.25 0.00 -1.04 -0.70 119.26 120.21 2pnf h ALA 172 Ca 0.09 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 2pnf h ALA 172 Cb 0.68 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 2pnf h ALA 172 CO 0.05 0.30 0.29 0.87 0.00 0.00 0.00 179.25 180.77 2pnf h LYS 173 N 0.94 0.89 -0.44 0.00 1.57 -1.11 -1.27 116.57 117.14 2pnf h LYS 173 Ca 0.25 -0.13 -0.09 0.00 -1.87 0.00 0.00 60.65 58.81 2pnf h LYS 173 Cb -0.11 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.03 2pnf h LYS 173 CO -0.06 0.71 -0.11 0.93 -0.57 0.00 0.00 179.45 180.36 2pnf h GLU 174 N 0.84 0.79 -0.00 3.15 5.08 -1.00 -3.24 114.58 120.19 2pnf h GLU 174 Ca 0.21 -0.26 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 2pnf h GLU 174 Cb 0.12 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.31 2pnf h GLU 174 CO -0.03 0.87 -0.61 1.28 -1.00 0.00 0.00 179.01 179.52 2pnf n LEU 175 N -4.16 0.63 -0.36 1.33 4.77 -0.31 -4.38 117.00 114.52 2pnf n LEU 175 Ca 0.01 -0.12 0.09 0.00 -0.03 0.00 0.00 56.01 55.96 2pnf n LEU 175 Cb 0.37 -0.19 0.26 0.00 -2.33 0.00 0.00 43.42 41.53 2pnf n LEU 175 CO 0.43 0.16 1.22 0.00 -1.33 0.00 0.00 177.39 177.87 2pnf h ALA 176 N 3.02 1.55 0.00 -1.18 0.00 -1.26 -1.10 119.26 120.29 2pnf h ALA 176 Ca 0.00 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2pnf h ALA 176 Cb 0.50 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.12 2pnf h ALA 176 CO 0.00 0.15 0.00 -1.35 0.00 0.00 0.00 179.25 178.05 2pnf h PRO 177 N 0.93 0.00 -0.44 0.00 0.11 -1.79 -0.65 132.00 130.15 2pnf h PRO 177 Ca 0.52 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.63 2pnf h PRO 177 Cb 0.60 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.71 2pnf h PRO 177 CO -0.30 0.00 0.00 0.54 -0.21 0.00 0.00 178.00 178.03 2pnf n ARG 178 N -2.86 2.49 -3.47 1.05 5.12 -0.43 -4.98 116.66 113.59 2pnf n ARG 178 Ca -0.02 -2.30 -0.24 0.00 -1.93 0.00 0.00 57.85 53.36 2pnf n ARG 178 Cb 0.11 -1.49 0.07 0.00 -1.16 0.00 0.00 32.46 29.98 2pnf n ARG 178 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 2pnf n ASN 179 N 1.42 -6.27 -4.27 0.55 4.05 -0.25 -3.87 115.26 106.62 2pnf n ASN 179 Ca 0.19 -0.49 -0.36 0.00 0.45 0.00 0.00 54.58 54.38 2pnf n ASN 179 Cb 0.58 -4.97 -0.14 0.00 1.23 0.00 0.00 39.78 36.49 2pnf n ASN 179 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 177.26 173.52 2pnf s VAL 180 N -3.28 3.37 -0.08 3.44 1.01 -1.15 -3.13 120.40 120.57 2pnf s VAL 180 Ca 0.52 -0.87 -0.14 0.00 0.00 0.00 0.00 61.98 61.49 2pnf s VAL 180 Cb -0.23 -2.72 -0.05 0.00 0.00 0.00 0.00 36.38 33.38 2pnf s VAL 180 CO 0.65 0.15 0.36 -0.76 0.00 0.00 0.00 175.10 175.50 2pnf s LEU 181 N 1.40 4.36 -0.15 3.92 1.43 -0.39 -4.10 118.68 125.15 2pnf s LEU 181 Ca 0.01 0.75 0.01 0.00 -1.03 0.00 0.00 54.13 53.87 2pnf s LEU 181 Cb -0.17 -2.50 0.02 0.00 0.03 0.00 0.00 46.19 43.58 2pnf s LEU 181 CO -0.01 0.20 -0.16 -0.69 0.23 0.00 0.00 176.35 175.92 2pnf s VAL 182 N -0.28 1.71 0.26 -1.59 1.01 -1.26 -0.96 120.40 119.29 2pnf s VAL 182 Ca 0.21 -0.73 0.02 0.00 0.00 0.00 0.00 61.98 61.48 2pnf s VAL 182 Cb -0.15 -1.57 -0.04 0.00 0.00 0.00 0.00 36.38 34.62 2pnf s VAL 182 CO 0.09 0.48 0.18 0.20 0.00 0.00 0.00 175.10 176.05 2pnf s ASN 183 N 1.31 0.90 0.07 3.32 0.01 -0.40 -0.11 114.94 120.03 2pnf s ASN 183 Ca 0.02 -1.53 0.04 0.00 -0.71 0.00 0.00 52.86 50.68 2pnf s ASN 183 Cb -0.13 0.43 -0.03 0.00 0.41 0.00 0.00 41.25 41.92 2pnf s ASN 183 CO -0.09 -0.91 -0.11 0.00 -1.51 0.00 0.00 177.10 174.48 2pnf s ALA 184 N -3.83 0.94 -0.08 0.60 0.00 0.09 -0.73 121.76 118.74 2pnf s ALA 184 Ca 0.39 -0.97 0.04 0.00 0.00 0.00 0.00 51.96 51.42 2pnf s ALA 184 Cb 0.05 -0.01 -0.00 0.00 0.00 0.00 0.00 23.12 23.16 2pnf s ALA 184 CO 0.18 0.04 -0.22 0.08 0.00 0.00 0.00 175.76 175.83 2pnf s VAL 185 N -1.67 1.89 -0.51 0.00 1.01 -0.50 -0.67 120.40 119.95 2pnf s VAL 185 Ca -0.03 -0.93 0.01 0.00 0.00 0.00 0.00 61.98 61.03 2pnf s VAL 185 Cb -0.08 -1.63 0.13 0.00 0.00 0.00 0.00 36.38 34.80 2pnf s VAL 185 CO 0.01 0.52 0.27 0.00 0.00 0.00 0.00 175.10 175.91 2pnf s ALA 186 N 0.28 3.30 0.68 5.51 0.00 0.52 -0.78 121.76 131.27 2pnf s ALA 186 Ca -0.15 -3.03 -0.14 0.00 0.00 0.00 0.00 51.96 48.65 2pnf s ALA 186 Cb -0.17 -2.33 0.01 0.00 0.00 0.00 0.00 23.12 20.63 2pnf s ALA 186 CO 0.07 -1.96 1.10 -2.14 0.00 0.00 0.00 175.76 172.83 2pnf s PRO 187 N 0.21 2.72 0.00 0.00 0.02 -1.26 -1.34 135.00 135.36 2pnf s PRO 187 Ca 0.15 1.28 0.00 0.00 0.02 0.00 0.00 61.00 62.45 2pnf s PRO 187 Cb -0.22 -1.95 0.00 0.00 0.02 0.00 0.00 34.50 32.35 2pnf s PRO 187 CO -0.03 -1.29 0.00 0.41 -0.33 0.00 0.00 177.00 175.75 2pnf n GLY 188 N -0.85 0.50 3.51 0.52 0.00 -0.50 -1.34 105.19 107.03 2pnf n GLY 188 Ca 0.10 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.69 2pnf n GLY 188 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2pnf s PHE 189 N 2.75 3.13 -0.07 1.61 0.08 -1.26 -4.81 117.98 119.42 2pnf s PHE 189 Ca 0.00 -0.18 0.03 0.00 0.12 0.00 0.00 56.93 56.90 2pnf s PHE 189 Cb 0.00 -3.06 -0.02 0.00 -0.57 0.00 0.00 43.02 39.37 2pnf s PHE 189 CO 0.00 -0.74 -0.14 0.42 -0.10 0.00 0.00 175.22 174.66 2pnf s ILE 190 N 2.42 3.04 -0.26 0.64 -1.09 -1.26 -1.70 121.20 122.99 2pnf s ILE 190 Ca 0.17 -0.71 -0.25 0.00 -2.23 0.00 0.00 60.65 57.62 2pnf s ILE 190 Cb -0.16 -2.21 0.00 0.00 -1.58 0.00 0.00 42.46 38.51 2pnf s ILE 190 CO 0.15 0.58 0.87 -0.70 -1.23 0.00 0.00 174.94 174.61 2pnf s GLU 191 N -0.46 4.13 0.45 2.79 2.12 -0.04 -4.89 118.70 122.80 2pnf s GLU 191 Ca 0.06 0.93 0.03 0.00 0.36 0.00 0.00 54.97 56.35 2pnf s GLU 191 Cb -0.12 -3.67 -0.02 0.00 0.26 0.00 0.00 34.13 30.57 2pnf s GLU 191 CO 0.02 -0.61 0.06 0.95 -0.54 0.00 0.00 175.26 175.14 2pnf s THR 192 N 2.99 0.96 0.19 -1.70 -4.23 -1.26 -4.15 115.64 108.43 2pnf s THR 192 Ca 0.36 -2.00 0.35 0.00 -1.18 0.00 0.00 61.69 59.23 2pnf s THR 192 Cb -0.15 -2.33 0.39 0.00 1.34 0.00 0.00 72.50 71.75 2pnf s THR 192 CO 0.09 0.00 2.05 -2.24 -0.54 0.00 0.00 174.62 173.98 2pnf h ASP 193 N 1.61 0.00 0.76 3.99 3.04 -2.00 -1.64 116.42 122.19 2pnf h ASP 193 Ca -0.40 0.00 -0.03 0.00 -3.24 0.00 0.00 57.03 53.36 2pnf h ASP 193 Cb 1.29 0.00 -0.00 0.00 -1.04 0.00 0.00 39.33 39.57 2pnf h ASP 193 CO 0.66 0.00 -0.16 0.24 -2.04 0.00 0.00 179.24 177.95 2pnf h MET 194 N 0.00 0.00 0.00 4.15 2.86 -1.98 -2.01 114.93 117.96 2pnf h MET 194 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2pnf h MET 194 Cb 0.32 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.98 2pnf h MET 194 CO 0.00 0.16 0.00 2.41 1.06 0.00 0.00 176.91 180.54 2pnf n THR 195 N -3.40 0.99 0.29 2.22 -1.04 -0.62 -2.17 114.28 110.57 2pnf n THR 195 Ca -0.00 0.56 0.17 0.00 -2.04 0.00 0.00 64.05 62.74 2pnf n THR 195 Cb 0.35 -1.54 0.88 0.00 -1.82 0.00 0.00 70.33 68.20 2pnf n THR 195 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2pnf h ALA 196 N 2.09 1.11 -0.08 2.41 0.00 -1.51 -2.66 119.26 120.62 2pnf h ALA 196 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2pnf h ALA 196 Cb 0.12 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.90 2pnf h ALA 196 CO 0.00 0.05 0.00 1.33 0.00 0.00 0.00 179.25 180.63 2pnf n VAL 197 N -3.30 0.09 -3.34 0.00 0.24 -0.92 -4.86 118.33 106.23 2pnf n VAL 197 Ca -0.02 -0.22 -0.35 0.00 -2.04 0.00 0.00 64.34 61.71 2pnf n VAL 197 Cb 0.20 0.21 -0.06 0.00 -1.47 0.00 0.00 33.84 32.72 2pnf n VAL 197 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 2pnf s LEU 198 N -1.75 4.34 0.48 1.34 1.43 -1.01 -5.05 118.68 118.46 2pnf s LEU 198 Ca 0.35 1.10 -0.22 0.00 -1.03 0.00 0.00 54.13 54.33 2pnf s LEU 198 Cb 0.18 -3.28 -0.08 0.00 0.03 0.00 0.00 46.19 43.05 2pnf s LEU 198 CO 0.29 0.10 1.10 -0.94 0.23 0.00 0.00 176.35 177.13 2pnf s SER 199 N -1.71 6.22 0.41 2.29 1.04 -1.26 -4.88 113.70 115.81 2pnf s SER 199 Ca 0.38 2.12 0.17 0.00 0.48 0.00 0.00 55.95 59.10 2pnf s SER 199 Cb -0.15 -2.58 1.06 0.00 0.10 0.00 0.00 66.02 64.45 2pnf s SER 199 CO 0.19 -0.87 1.84 -0.33 0.98 0.00 0.00 173.24 175.05 2pnf h GLU 200 N 1.79 0.42 -0.01 4.02 4.39 -1.97 -1.19 114.58 122.04 2pnf h GLU 200 Ca -0.49 -0.03 -0.00 0.00 0.34 0.00 0.00 59.36 59.18 2pnf h GLU 200 Cb 1.24 -0.10 -0.00 0.00 -0.10 0.00 0.00 28.75 29.79 2pnf h GLU 200 CO 0.59 0.28 0.00 1.49 -1.16 0.00 0.00 179.01 180.21 2pnf h GLU 201 N 0.43 0.01 -0.70 2.33 4.81 -2.00 -2.04 114.58 117.43 2pnf h GLU 201 Ca 0.49 -0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.67 2pnf h GLU 201 Cb 1.18 -0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.52 2pnf h GLU 201 CO -0.20 0.25 0.27 0.82 -0.73 0.00 0.00 179.01 179.42 2pnf h ILE 202 N -0.23 1.24 -0.75 2.32 1.08 -1.63 -2.34 117.51 117.19 2pnf h ILE 202 Ca 0.00 -0.77 -0.05 0.00 -0.39 0.00 0.00 64.86 63.66 2pnf h ILE 202 Cb 0.25 0.42 -0.03 0.00 -3.07 0.00 0.00 36.82 34.38 2pnf h ILE 202 CO 0.00 0.31 0.28 0.11 -0.69 0.00 0.00 178.15 178.15 2pnf h LYS 203 N 1.01 1.14 -0.13 2.37 1.57 -1.21 -0.74 116.57 120.59 2pnf h LYS 203 Ca 0.23 -0.22 -0.10 0.00 -1.87 0.00 0.00 60.65 58.69 2pnf h LYS 203 Cb 0.21 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.33 2pnf h LYS 203 CO -0.02 0.95 -0.37 1.96 -0.57 0.00 0.00 179.45 181.40 2pnf h GLN 204 N 1.10 0.28 -0.01 3.15 1.08 -1.19 0.26 115.11 119.78 2pnf h GLN 204 Ca 0.25 -0.12 -0.00 0.00 -1.45 0.00 0.00 58.65 57.32 2pnf h GLN 204 Cb 0.25 -0.01 -0.00 0.00 -0.05 0.00 0.00 27.48 27.67 2pnf h GLN 204 CO -0.02 0.61 0.00 -0.22 -0.95 0.00 0.00 178.83 178.26 2pnf h LYS 205 N 0.24 0.01 -0.51 1.46 3.64 -0.87 -1.60 116.57 118.95 2pnf h LYS 205 Ca 0.03 -0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.39 2pnf h LYS 205 Cb 0.76 -0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.56 2pnf h LYS 205 CO 0.06 0.14 0.26 1.88 -2.27 0.00 0.00 179.45 179.52 2pnf h TYR 206 N -0.12 0.72 0.00 1.91 0.05 -0.72 -2.49 116.97 116.32 2pnf h TYR 206 Ca 0.00 -0.03 -0.00 0.00 0.05 0.00 0.00 58.73 58.75 2pnf h TYR 206 Cb 0.14 -0.23 -0.00 0.00 1.01 0.00 0.00 36.73 37.65 2pnf h TYR 206 CO -0.03 0.55 -0.02 0.87 -1.05 0.00 0.00 178.16 178.48 2pnf h LYS 207 N 0.68 0.00 0.00 4.88 1.57 -0.81 -0.24 116.57 122.65 2pnf h LYS 207 Ca 0.18 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.94 2pnf h LYS 207 Cb 0.09 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.40 2pnf h LYS 207 CO -0.02 0.02 -0.09 0.93 -0.57 0.00 0.00 179.45 179.72 2pnf h GLU 208 N 0.00 0.00 -0.00 3.15 5.08 -0.81 0.17 114.58 122.17 2pnf h GLU 208 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2pnf h GLU 208 Cb 0.04 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.29 2pnf h GLU 208 CO 0.00 0.09 -0.03 1.04 -1.00 0.00 0.00 179.01 179.11 2pnf n GLN 209 N -3.69 0.35 -3.73 2.33 6.02 -0.10 -4.76 117.38 113.80 2pnf n GLN 209 Ca -0.02 -0.03 -0.38 0.00 -0.01 0.00 0.00 57.00 56.56 2pnf n GLN 209 Cb 0.20 -1.50 -0.12 0.00 1.02 0.00 0.00 30.24 29.84 2pnf n GLN 209 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 2pnf s ILE 210 N -2.67 4.21 0.28 5.09 1.01 0.05 -4.55 121.20 124.62 2pnf s ILE 210 Ca 0.25 -0.53 0.00 0.00 0.00 0.00 0.00 60.65 60.37 2pnf s ILE 210 Cb 0.20 -3.13 0.28 0.00 0.01 0.00 0.00 42.46 39.82 2pnf s ILE 210 CO 0.49 0.12 1.85 -0.65 0.00 0.00 0.00 174.94 176.75 2pnf h PRO 211 N 8.27 1.03 0.00 2.79 0.11 -1.81 0.19 132.00 142.58 2pnf h PRO 211 Ca -0.33 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.72 2pnf h PRO 211 Cb 1.14 -0.23 0.00 0.00 0.11 0.00 0.00 31.00 32.02 2pnf h PRO 211 CO 0.60 0.68 0.00 1.28 -0.21 0.00 0.00 178.00 180.35 2pnf n LEU 212 N -4.58 0.25 -0.64 2.35 4.77 -0.91 -4.87 117.00 113.37 2pnf n LEU 212 Ca 0.18 0.57 -0.08 0.00 -0.03 0.00 0.00 56.01 56.64 2pnf n LEU 212 Cb 0.30 -0.54 -0.04 0.00 -2.33 0.00 0.00 43.42 40.81 2pnf n LEU 212 CO 0.29 -0.41 -0.08 0.61 -1.33 0.00 0.00 177.39 176.48 2pnf n GLY 213 N -0.18 1.01 3.27 -0.72 0.00 0.65 -4.99 105.19 104.23 2pnf n GLY 213 Ca 0.03 -0.54 -0.10 0.00 0.00 0.00 0.00 46.02 45.41 2pnf n GLY 213 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2pnf s ARG 214 N -2.57 0.97 0.57 1.61 1.70 -1.26 -4.99 118.95 114.97 2pnf s ARG 214 Ca 0.00 -0.77 -0.12 0.00 -0.47 0.00 0.00 55.73 54.36 2pnf s ARG 214 Cb 0.00 0.42 -0.05 0.00 -0.57 0.00 0.00 34.95 34.74 2pnf s ARG 214 CO 0.00 -0.35 0.98 -0.06 -1.08 0.00 0.00 175.30 174.79 2pnf s PHE 215 N -3.72 3.56 0.51 5.89 0.08 -1.26 -4.95 117.98 118.09 2pnf s PHE 215 Ca 0.03 1.29 -0.02 0.00 0.12 0.00 0.00 56.93 58.35 2pnf s PHE 215 Cb 0.03 -2.70 0.00 0.00 -0.57 0.00 0.00 43.02 39.78 2pnf s PHE 215 CO -0.11 -0.53 0.76 0.20 -0.10 0.00 0.00 175.22 175.44 2pnf s GLY 216 N -3.79 1.60 0.30 4.36 0.00 -0.69 -4.80 107.32 104.30 2pnf s GLY 216 Ca 0.55 -0.94 0.02 0.00 0.00 0.00 0.00 44.72 44.35 2pnf s GLY 216 CO 0.45 -0.72 0.47 -1.35 0.00 0.00 0.00 173.10 171.95 2pnf s SER 217 N -4.26 6.32 0.36 1.64 1.04 -1.26 -0.86 113.70 116.67 2pnf s SER 217 Ca 0.51 0.34 0.06 0.00 0.48 0.00 0.00 55.95 57.34 2pnf s SER 217 Cb -0.10 -1.98 0.75 0.00 0.10 0.00 0.00 66.02 64.79 2pnf s SER 217 CO 0.41 -0.19 1.94 -0.65 0.98 0.00 0.00 173.24 175.72 2pnf h PRO 218 N 1.06 0.73 -0.51 4.02 0.11 -1.95 -1.70 132.00 133.76 2pnf h PRO 218 Ca -0.50 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 65.53 2pnf h PRO 218 Cb 1.22 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 32.14 2pnf h PRO 218 CO 0.62 0.48 0.16 1.49 -0.21 0.00 0.00 178.00 180.55 2pnf h GLU 219 N 0.75 0.74 -0.11 1.05 4.81 -1.93 0.43 114.58 120.32 2pnf h GLU 219 Ca 0.34 -0.12 -0.05 0.00 -0.13 0.00 0.00 59.36 59.39 2pnf h GLU 219 Cb 0.35 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.60 2pnf h GLU 219 CO -0.12 0.64 -0.18 0.93 -0.73 0.00 0.00 179.01 179.55 2pnf h GLU 220 N 0.73 0.18 -0.05 1.92 5.08 -1.70 0.15 114.58 120.89 2pnf h GLU 220 Ca 0.17 -0.05 -0.13 0.00 -1.00 0.00 0.00 59.36 58.35 2pnf h GLU 220 Cb 0.21 -0.02 0.01 0.00 0.50 0.00 0.00 28.75 29.44 2pnf h GLU 220 CO -0.01 0.37 -0.49 0.28 -1.00 0.00 0.00 179.01 178.15 2pnf h VAL 221 N 0.17 1.41 -0.79 3.13 2.07 -1.14 -3.25 116.25 117.85 2pnf h VAL 221 Ca 0.03 -1.91 0.06 0.00 0.82 0.00 0.00 66.70 65.70 2pnf h VAL 221 Cb 0.42 2.40 -0.05 0.00 -1.52 0.00 0.00 31.29 32.54 2pnf h VAL 221 CO 0.03 0.56 0.52 0.00 0.02 0.00 0.00 177.57 178.70 2pnf h ALA 222 N 0.40 1.60 -0.69 1.67 0.00 -0.44 -1.73 119.26 120.07 2pnf h ALA 222 Ca -0.05 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 54.86 2pnf h ALA 222 Cb 1.17 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 18.69 2pnf h ALA 222 CO 0.10 0.29 0.46 -0.91 0.00 0.00 0.00 179.25 179.18 2pnf h ASN 223 N 0.89 0.73 -0.15 0.00 2.35 -0.75 0.97 115.58 119.61 2pnf h ASN 223 Ca 0.34 -0.01 -0.20 0.00 -0.55 0.00 0.00 56.30 55.87 2pnf h ASN 223 Cb 0.19 -0.17 0.00 0.00 0.05 0.00 0.00 38.32 38.39 2pnf h ASN 223 CO -0.11 0.51 -0.67 0.58 -1.65 0.00 0.00 177.43 176.09 2pnf h VAL 224 N 0.85 1.29 -0.43 2.81 2.07 -1.37 -1.50 116.25 119.97 2pnf h VAL 224 Ca 0.27 -1.88 -0.00 0.00 0.82 0.00 0.00 66.70 65.91 2pnf h VAL 224 Cb 0.03 1.84 -0.02 0.00 -1.52 0.00 0.00 31.29 31.61 2pnf h VAL 224 CO -0.07 0.60 0.27 0.58 0.02 0.00 0.00 177.57 178.97 2pnf h VAL 225 N 0.56 1.13 -0.51 2.57 2.07 -0.97 -1.59 116.25 119.51 2pnf h VAL 225 Ca -0.02 -0.28 0.07 0.00 0.82 0.00 0.00 66.70 67.29 2pnf h VAL 225 Cb 1.28 0.54 -0.06 0.00 -1.52 0.00 0.00 31.29 31.53 2pnf h VAL 225 CO 0.14 0.13 0.20 0.25 0.02 0.00 0.00 177.57 178.30 2pnf h LEU 226 N 0.58 0.22 -0.45 2.57 5.85 -0.70 -1.73 115.31 121.65 2pnf h LEU 226 Ca 0.16 0.06 0.07 0.00 0.84 0.00 0.00 57.88 59.00 2pnf h LEU 226 Cb -0.02 0.03 -0.06 0.00 0.37 0.00 0.00 40.66 40.98 2pnf h LEU 226 CO -0.03 0.15 0.10 0.15 -0.34 0.00 0.00 178.44 178.47 2pnf h PHE 227 N 0.39 0.17 0.00 1.25 3.57 -0.81 -1.01 116.94 120.49 2pnf h PHE 227 Ca 0.25 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.76 2pnf h PHE 227 Cb 0.25 -0.01 -0.00 0.00 2.79 0.00 0.00 35.95 38.98 2pnf h PHE 227 CO -0.15 0.02 -0.05 -0.07 -2.23 0.00 0.00 178.31 175.83 2pnf h LEU 228 N 0.24 0.00 -0.70 0.59 3.38 -0.47 -1.48 115.31 116.88 2pnf h LEU 228 Ca 0.22 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.19 2pnf h LEU 228 Cb 0.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.02 2pnf h LEU 228 CO -0.27 0.05 -0.19 0.00 0.09 0.00 0.00 178.44 178.12 2pnf s SER 230 N -2.34 4.73 0.02 0.00 1.04 -0.56 -4.98 113.70 111.61 2pnf s SER 230 Ca 0.28 -0.28 0.23 0.00 0.48 0.00 0.00 55.95 56.65 2pnf s SER 230 Cb 0.20 -0.28 0.95 0.00 0.10 0.00 0.00 66.02 66.99 2pnf s SER 230 CO 0.46 -1.58 1.72 -0.62 0.98 0.00 0.00 173.24 174.21 2pnf n GLU 231 N -2.62 0.02 0.05 4.02 -0.58 -1.26 -2.71 120.64 117.57 2pnf n GLU 231 Ca 0.13 0.13 0.11 0.00 -0.42 0.00 0.00 57.16 57.12 2pnf n GLU 231 Cb 0.60 -1.54 0.46 0.00 -0.57 0.00 0.00 31.44 30.40 2pnf n GLU 231 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 2pnf n LEU 232 N -1.58 0.34 -0.68 -4.62 4.32 -1.26 -3.38 117.00 110.14 2pnf n LEU 232 Ca 0.05 0.56 0.05 0.00 -0.02 0.00 0.00 56.01 56.65 2pnf n LEU 232 Cb 0.27 -0.47 0.20 0.00 -1.62 0.00 0.00 43.42 41.80 2pnf n LEU 232 CO 0.21 -0.23 0.60 0.00 -1.22 0.00 0.00 177.39 176.75 2pnf n ALA 233 N -1.63 3.29 0.31 -1.18 0.00 -1.10 -4.76 120.51 115.44 2pnf n ALA 233 Ca 0.05 -2.83 0.20 0.00 0.00 0.00 0.00 53.44 50.86 2pnf n ALA 233 Cb 0.29 -0.56 1.02 0.00 0.00 0.00 0.00 19.45 20.20 2pnf n ALA 233 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2pnf h SER 234 N 0.92 0.00 -0.40 0.00 4.64 -1.72 -2.18 113.55 114.80 2pnf h SER 234 Ca 0.06 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 2pnf h SER 234 Cb 1.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.39 2pnf h SER 234 CO 0.16 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.12 2pnf n TYR 235 N -2.98 0.79 -3.80 4.77 9.36 -1.26 -4.94 117.16 119.10 2pnf n TYR 235 Ca -0.02 -0.62 -0.36 0.00 3.32 0.00 0.00 57.90 60.22 2pnf n TYR 235 Cb 0.13 -0.14 -0.12 0.00 -0.63 0.00 0.00 39.34 38.58 2pnf n TYR 235 CO 0.00 0.00 0.00 0.42 0.22 0.00 0.00 176.86 177.50 2pnf s ILE 236 N -1.61 4.46 -0.09 2.97 1.01 -0.82 -5.07 121.20 122.04 2pnf s ILE 236 Ca 0.34 -0.13 -0.21 0.00 0.00 0.00 0.00 60.65 60.66 2pnf s ILE 236 Cb 0.22 -3.08 0.05 0.00 0.01 0.00 0.00 42.46 39.66 2pnf s ILE 236 CO 0.17 0.35 0.51 0.28 0.00 0.00 0.00 174.94 176.25 2pnf s THR 237 N 1.41 0.02 -0.15 2.92 -1.32 -1.26 -4.70 115.64 112.56 2pnf s THR 237 Ca 0.05 -0.15 0.00 0.00 -1.21 0.00 0.00 61.69 60.39 2pnf s THR 237 Cb -0.15 -0.78 0.00 0.00 -1.51 0.00 0.00 72.50 70.06 2pnf s THR 237 CO 0.04 -0.08 0.00 0.61 -2.21 0.00 0.00 174.62 172.98 2pnf n GLY 238 N 1.72 0.51 3.69 6.08 0.00 0.84 -4.96 105.19 113.07 2pnf n GLY 238 Ca -0.18 -0.68 -0.25 0.00 0.00 0.00 0.00 46.02 44.92 2pnf n GLY 238 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2pnf s GLU 239 N -1.55 2.50 -0.10 1.61 2.56 -1.26 -4.64 118.70 117.82 2pnf s GLU 239 Ca 0.00 -1.16 0.03 0.00 0.00 0.00 0.00 54.97 53.84 2pnf s GLU 239 Cb 0.00 -2.36 -0.01 0.00 2.00 0.00 0.00 34.13 33.76 2pnf s GLU 239 CO 0.00 0.43 -0.19 0.08 -0.56 0.00 0.00 175.26 175.02 2pnf s VAL 240 N -1.94 2.58 -0.22 3.70 1.01 -1.26 -0.73 120.40 123.54 2pnf s VAL 240 Ca 0.30 -0.85 -0.04 0.00 0.00 0.00 0.00 61.98 61.39 2pnf s VAL 240 Cb -0.08 -2.03 -0.01 0.00 0.00 0.00 0.00 36.38 34.26 2pnf s VAL 240 CO 0.20 0.55 -0.04 -0.63 0.00 0.00 0.00 175.10 175.18 2pnf s ILE 241 N 0.14 3.37 0.04 2.22 1.01 0.15 -4.95 121.20 123.18 2pnf s ILE 241 Ca -0.10 -0.49 -0.24 0.00 0.00 0.00 0.00 60.65 59.82 2pnf s ILE 241 Cb -0.16 -2.53 -0.06 0.00 0.01 0.00 0.00 42.46 39.72 2pnf s ILE 241 CO 0.06 0.42 0.72 -1.00 0.00 0.00 0.00 174.94 175.14 2pnf s HIS 242 N 1.48 3.73 -0.51 3.97 3.76 -1.26 -0.35 115.29 126.10 2pnf s HIS 242 Ca 0.06 1.41 0.04 0.00 -0.15 0.00 0.00 55.06 56.42 2pnf s HIS 242 Cb -0.14 -2.76 0.16 0.00 1.11 0.00 0.00 32.58 30.95 2pnf s HIS 242 CO -0.03 0.31 0.37 0.08 -0.85 0.00 0.00 174.74 174.61 2pnf s VAL 243 N -0.15 1.37 -0.00 -0.90 1.01 -0.45 -4.90 120.40 116.38 2pnf s VAL 243 Ca 0.36 -3.14 0.02 0.00 0.00 0.00 0.00 61.98 59.22 2pnf s VAL 243 Cb -0.20 -1.93 0.03 0.00 0.00 0.00 0.00 36.38 34.28 2pnf s VAL 243 CO 0.22 -1.09 1.01 -0.46 0.00 0.00 0.00 175.10 174.78 2pnf n ASN 244 N 2.72 0.10 -0.82 3.32 0.23 -1.26 -1.41 115.26 118.14 2pnf n ASN 244 Ca 0.22 -2.02 -0.11 0.00 -0.53 0.00 0.00 54.58 52.15 2pnf n ASN 244 Cb 0.41 -0.21 -0.05 0.00 -2.08 0.00 0.00 39.78 37.85 2pnf n ASN 244 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2pnf n GLY 245 N 0.01 1.12 0.00 4.83 0.00 -1.26 -2.55 105.19 107.33 2pnf n GLY 245 Ca 0.01 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.86 2pnf n GLY 245 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2pnf n GLY 246 N -0.64 0.73 0.19 -0.02 0.00 -1.26 -2.14 105.19 102.05 2pnf n GLY 246 Ca -0.11 0.00 0.03 0.00 0.00 0.00 0.00 46.02 45.94 2pnf n GLY 246 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 2pnf h MET 247 N 4.53 0.00 0.00 1.61 1.85 -1.73 -3.42 114.93 117.77 2pnf h MET 247 Ca 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 59.09 2pnf h MET 247 Cb 0.00 0.00 0.00 0.00 0.43 0.00 0.00 31.60 32.03 2pnf h MET 247 CO 0.00 0.35 0.00 0.34 -0.40 0.00 0.00 176.91 177.20